BAS 08978503
TL;DR: BAS 08978503 (CAS 956206-67-0) is a chemical compound with molecular formula C13H12ClN5O2 and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
Also Known As: BAS 08978503, A3677/0155932, N-(3-chloro-4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide, N-(3-chloro-4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide, N-(3-chloro-4-methylphenyl)-5-oxo-6,7-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide
| Molecular Formula | C13H12ClN5O2 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 1.70302 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.06796 |
| Heavy Atoms | 21 |
| Complexity | 727.10175 |
Chemical Identifiers
| CAS Number | 956206-67-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N3C=NN=C3N2)Cl |
Product Overview
BAS 08978503 (CAS 956206-67-0), with molecular formula C13H12ClN5O2 and molecular weight 305.07 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-5-oxo-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxamide.
Chemical Property Profile of BAS 08978503
Property Insights of BAS 08978503
The XLogP value of 1.70302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08978503. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08978503. Following Lipinski's Rule of Five, BAS 08978503 has 2 hydrogen bond donor(s) and 5 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 08978503?
The CAS number of BAS 08978503 is 956206-67-0.
What is the molecular formula of BAS 08978503?
The molecular formula of BAS 08978503 is C13H12ClN5O2.
What is the molecular weight of BAS 08978503?
The molecular weight of BAS 08978503 is 305.07 g/mol.
Where can I buy BAS 08978503?
You can request a quote for BAS 08978503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08978503?
Yes, KEHONG BIO provides custom synthesis services for BAS 08978503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.