ChemDiv1_003885
TL;DR: ChemDiv1_003885 (CAS 312696-41-6) is a chemical compound with molecular formula C24H21BrN2O2S and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-bromothiophen-2-yl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: ChemDiv1_003885, BAS 02170138, BIM-0044005.P001, 6-(5-bromothiophen-2-yl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(5-bromothiophen-2-yl)-14-(4-methoxyphenyl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one
| Molecular Formula | C24H21BrN2O2S |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 6.4987 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.05072 |
| Heavy Atoms | 30 |
| Complexity | 1136.1176 |
Chemical Identifiers
| CAS Number | 312696-41-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(S5)Br)C(=O)C2 |
Product Overview
ChemDiv1_003885 (CAS 312696-41-6), with molecular formula C24H21BrN2O2S and molecular weight 480.05 g/mol. IUPAC: 6-(5-bromothiophen-2-yl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of ChemDiv1_003885
Property Insights of ChemDiv1_003885
The XLogP value of 6.4987 indicates that ChemDiv1_003885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, ChemDiv1_003885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_003885 has 2 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 ChemDiv1_003885?
The CAS number of ChemDiv1_003885 is 312696-41-6.
What is the molecular formula of ChemDiv1_003885?
The molecular formula of ChemDiv1_003885 is C24H21BrN2O2S.
What is the molecular weight of ChemDiv1_003885?
The molecular weight of ChemDiv1_003885 is 480.05 g/mol.
Where can I buy ChemDiv1_003885?
You can request a quote for ChemDiv1_003885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003885?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.