Integerressine
TL;DR: Integerressine (CAS 17948-40-2) is a chemical compound with molecular formula C33H38N4O4 and molecular weight 554.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-methylbutanamide
Also Known As: Integerressine, (2S)-N-[(2Z,6S,9S,10R)-6-benzyl-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-3-methylbutanamide, (2S)-N-[(3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-methylbutanamide, (2S)-2-Dimethylamino-N-[(3R,4S,7S)-5,8-dioxo-3-phenyl-7-phenylmethyl-2-oxa-6,9-diazabicyclo[10.2.2]h, (2S)-2-Dimethylamino-N-[(3R,4S,7S)-5,8-dioxo-3-phenyl-7-phenylmethyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14(1),15-tetren-4-yl]-3-methylbutanamide
| Molecular Formula | C33H38N4O4 |
|---|---|
| Molecular Weight | 554.29 g/mol |
| LogP | 3.7057 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.2893 |
| Heavy Atoms | 41 |
| Complexity | 1332.6655 |
Chemical Identifiers
| CAS Number | 17948-40-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@H]1[C@H](OC2=CC=C(C=C2)/C=C\NC(=O)[C@@H](NC1=O)CC3=CC=CC=C3)C4=CC=CC=C4)N(C)C |
Product Overview
Integerressine (CAS 17948-40-2), with molecular formula C33H38N4O4 and molecular weight 554.29 g/mol. IUPAC: (2S)-N-[(3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-methylbutanamide.
Chemical Property Profile of Integerressine
Property Insights of Integerressine
The XLogP value of 3.7057 indicates that Integerressine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Integerressine. Following Lipinski's Rule of Five, Integerressine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Integerressine?
The CAS number of Integerressine is 17948-40-2.
What is the molecular formula of Integerressine?
The molecular formula of Integerressine is C33H38N4O4.
What is the molecular weight of Integerressine?
The molecular weight of Integerressine is 554.29 g/mol.
Where can I buy Integerressine?
You can request a quote for Integerressine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Integerressine?
Yes, KEHONG BIO provides custom synthesis services for Integerressine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.