KW-3635 free acid
TL;DR: KW-3635 free acid (CAS 127166-39-6) is a chemical compound with molecular formula C26H22N2O3 and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Also Known As: KW-3635 free acid, Dibenz(b,E)oxepin-2-carboxylic acid, 11-(2-(5,6-dimethyl-1H-benzimidazol-1-yl)ethylidene)-6,11-dihydro-, (E)-, (11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid, (2E)-2-[2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)ethylidene]-9-oxatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-5-carboxylic acid, (E)-11-[2-[5,6-Dimethyl-1H-benzimidazol-1-yl]ethylidene]-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid
| Molecular Formula | C26H22N2O3 |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 5.37564 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.16306 |
| Heavy Atoms | 31 |
| Complexity | 1364.5924 |
Chemical Identifiers
| CAS Number | 127166-39-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)O |
Product Overview
KW-3635 free acid (CAS 127166-39-6), with molecular formula C26H22N2O3 and molecular weight 410.16 g/mol. IUPAC: (11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid.
Chemical Property Profile of KW-3635 free acid
Property Insights of KW-3635 free acid
The XLogP value of 5.37564 indicates that KW-3635 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for KW-3635 free acid. Following Lipinski's Rule of Five, KW-3635 free acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KW-3635 free acid?
The CAS number of KW-3635 free acid is 127166-39-6.
What is the molecular formula of KW-3635 free acid?
The molecular formula of KW-3635 free acid is C26H22N2O3.
What is the molecular weight of KW-3635 free acid?
The molecular weight of KW-3635 free acid is 410.16 g/mol.
Where can I buy KW-3635 free acid?
You can request a quote for KW-3635 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KW-3635 free acid?
Yes, KEHONG BIO provides custom synthesis services for KW-3635 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.