Integerrine
TL;DR: Integerrine (CAS 18397-13-2) is a chemical compound with molecular formula C35H39N5O4 and molecular weight 593.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(dimethylamino)-N-[(3R,4S,7S,10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylbutanamide
Also Known As: Integerrine, (2S)-2-(dimethylamino)-N-[(3R,4S,7S,10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylbutanamide, (2S)-2-(dimethylamino)-N-[(2Z,6S,9S,10R)-6-(1H-indol-3-ylmethyl)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-butanamide, (2S)-2-(dimethylamino)-N-[(2Z,6S,9S,10R)-6-(1H-indol-3-ylmethyl)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methylbutanamide, Butanamide, 2-(dimethylamino)-N-[7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl-, [3R-[3R*,4S*(S*),7S*]]-
| Molecular Formula | C35H39N5O4 |
|---|---|
| Molecular Weight | 593.30 g/mol |
| LogP | 4.187 |
| Topological Polar Surface Area | 115.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 593.30023 |
| Heavy Atoms | 44 |
| Complexity | 1619.903 |
Chemical Identifiers
| CAS Number | 18397-13-2 |
|---|---|
| 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=CNC4=CC=CC=C43)C5=CC=CC=C5)N(C)C |
Product Overview
Integerrine (CAS 18397-13-2), with molecular formula C35H39N5O4 and molecular weight 593.30 g/mol. IUPAC: (2S)-2-(dimethylamino)-N-[(3R,4S,7S,10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylbutanamide.
Chemical Property Profile of Integerrine
Property Insights of Integerrine
The XLogP value of 4.187 indicates that Integerrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Integerrine. Following Lipinski's Rule of Five, Integerrine has 4 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 Integerrine?
The CAS number of Integerrine is 18397-13-2.
What is the molecular formula of Integerrine?
The molecular formula of Integerrine is C35H39N5O4.
What is the molecular weight of Integerrine?
The molecular weight of Integerrine is 593.30 g/mol.
Where can I buy Integerrine?
You can request a quote for Integerrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Integerrine?
Yes, KEHONG BIO provides custom synthesis services for Integerrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.