BAS 05627301
TL;DR: BAS 05627301 (CAS 442666-33-3) is a chemical compound with molecular formula C21H17ClN2OS2 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-chlorothiophen-2-yl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 05627301, A2825/0119304, 6-(5-chlorothiophen-2-yl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(5-CHLOROTHIOPHEN-2-YL)-14-(THIOPHEN-2-YL)-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-12-ONE, 11-(5-chloro-2-thienyl)-3-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C21H17ClN2OS2 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 6.4425 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.0471 |
| Heavy Atoms | 27 |
| Complexity | 1038.1511 |
Chemical Identifiers
| CAS Number | 442666-33-3 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=C(S4)Cl)C5=CC=CS5 |
Product Overview
BAS 05627301 (CAS 442666-33-3), with molecular formula C21H17ClN2OS2 and molecular weight 412.05 g/mol. IUPAC: 6-(5-chlorothiophen-2-yl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 05627301
Property Insights of BAS 05627301
The XLogP value of 6.4425 indicates that BAS 05627301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, BAS 05627301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05627301 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 BAS 05627301?
The CAS number of BAS 05627301 is 442666-33-3.
What is the molecular formula of BAS 05627301?
The molecular formula of BAS 05627301 is C21H17ClN2OS2.
What is the molecular weight of BAS 05627301?
The molecular weight of BAS 05627301 is 412.05 g/mol.
Where can I buy BAS 05627301?
You can request a quote for BAS 05627301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05627301?
Yes, KEHONG BIO provides custom synthesis services for BAS 05627301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.