BAS 09867533
TL;DR: BAS 09867533 (CAS 876715-42-3) is a chemical compound with molecular formula C15H13Cl2N5O and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(2,4-dichlorophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Also Known As: BAS 09867533, 2-((2,4-dichlorobenzyl)amino)-6,7-dihydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8(5H)-one, 2-[(2,4-dichlorobenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
| Molecular Formula | C15H13Cl2N5O |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 2.8252 |
| Topological Polar Surface Area | 75.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.0497 |
| Heavy Atoms | 23 |
| Complexity | 962.391 |
Chemical Identifiers
| CAS Number | 876715-42-3 |
|---|---|
| SMILES | C1CC2=C(C1)N=C3N=C(NN3C2=O)NCC4=C(C=C(C=C4)Cl)Cl |
Product Overview
BAS 09867533 (CAS 876715-42-3), with molecular formula C15H13Cl2N5O and molecular weight 349.05 g/mol. IUPAC: 11-[(2,4-dichlorophenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
Chemical Property Profile of BAS 09867533
Property Insights of BAS 09867533
The XLogP value of 2.8252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09867533. The TPSA of 75.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09867533. Following Lipinski's Rule of Five, BAS 09867533 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 09867533?
The CAS number of BAS 09867533 is 876715-42-3.
What is the molecular formula of BAS 09867533?
The molecular formula of BAS 09867533 is C15H13Cl2N5O.
What is the molecular weight of BAS 09867533?
The molecular weight of BAS 09867533 is 349.05 g/mol.
Where can I buy BAS 09867533?
You can request a quote for BAS 09867533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09867533?
Yes, KEHONG BIO provides custom synthesis services for BAS 09867533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.