![Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- structure](/static/products/720/72047-70-2.png)
Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-
TL;DR: Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- (CAS 72047-70-2) is a chemical compound with molecular formula C31H44N4O5 and molecular weight 552.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-methylpentanamide
Also Known As: Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-, 2-(dimethylamino)-N-[6-[hydroxy(phenyl)methyl]-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-9-yl]-3-methylpentanamide, 2-(Dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-methylpentanamide #, 2-(dimethylamino)-N-{7-[hydroxy(phenyl)methyl]-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl}-3-methylpentanamide, 2-Dimethylamino-N-[7- -3- -5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1 ,12,15-trien-4-yl]-3-methylpentanamide
| Molecular Formula | C31H44N4O5 |
|---|---|
| Molecular Weight | 552.33 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.3312 |
| Heavy Atoms | 40 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 72047-70-2 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC1C(OC2=CC=C(CCNC(=O)C(NC1=O)C(C3=CC=CC=C3)O)C=C2)C(C)C)N(C)C |
| InChIKey | VMJIVMNWUMWQGS-UHFFFAOYSA-N |
Product Overview
Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- (CAS 72047-70-2), with molecular formula C31H44N4O5 and molecular weight 552.33 g/mol. IUPAC: 2-(dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-3-methylpentanamide.
Chemical Property Profile of Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-
Property Insights of Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-
The XLogP value of 4.6 indicates that Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-. Following Lipinski's Rule of Five, Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-?
The CAS number of Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- is 72047-70-2.
What is the molecular formula of Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-?
The molecular formula of Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- is C31H44N4O5.
What is the molecular weight of Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-?
The molecular weight of Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- is 552.33 g/mol.
Where can I buy Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-?
You can request a quote for Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pentanamide, 2-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.