ChemDiv1_015964
TL;DR: ChemDiv1_015964 (CAS 347318-82-5) is a chemical compound with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_015964, MixCom6_000124, BAS 03363639, A2555/0108794, 9-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C26H26N2O4S |
|---|---|
| Molecular Weight | 462.16 g/mol |
| LogP | 5.7534 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.16132 |
| Heavy Atoms | 33 |
| Complexity | 1193.7848 |
Chemical Identifiers
| CAS Number | 347318-82-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=CC=CC=C5N2 |
Product Overview
ChemDiv1_015964 (CAS 347318-82-5), with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol. IUPAC: 9-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_015964
Property Insights of ChemDiv1_015964
The XLogP value of 5.7534 indicates that ChemDiv1_015964 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_015964. Following Lipinski's Rule of Five, ChemDiv1_015964 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_015964?
The CAS number of ChemDiv1_015964 is 347318-82-5.
What is the molecular formula of ChemDiv1_015964?
The molecular formula of ChemDiv1_015964 is C26H26N2O4S.
What is the molecular weight of ChemDiv1_015964?
The molecular weight of ChemDiv1_015964 is 462.16 g/mol.
Where can I buy ChemDiv1_015964?
You can request a quote for ChemDiv1_015964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_015964?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_015964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.