BAS 09867645
TL;DR: BAS 09867645 (CAS 876716-48-2) is a chemical compound with molecular formula C16H16ClN5O3 and molecular weight 361.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(4-chlorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: BAS 09867645, methyl {2-[(4-chlorobenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate, methyl 2-(2-((4-chlorobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate, METHYL 2-(2-{[(4-CHLOROPHENYL)METHYL]AMINO}-5-METHYL-7-OXO-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)ACETATE, methyl 2-[2-[(4-chlorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
| Molecular Formula | C16H16ClN5O3 |
|---|---|
| Molecular Weight | 361.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.09418 |
| Heavy Atoms | 25 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 876716-48-2 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC=C(C=C3)Cl)CC(=O)OC |
| InChIKey | TZCCCKJYFDXTJT-UHFFFAOYSA-N |
Product Overview
BAS 09867645 (CAS 876716-48-2), with molecular formula C16H16ClN5O3 and molecular weight 361.09 g/mol. IUPAC: methyl 2-[2-[(4-chlorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of BAS 09867645
Property Insights of BAS 09867645
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09867645. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09867645. Following Lipinski's Rule of Five, BAS 09867645 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 09867645?
The CAS number of BAS 09867645 is 876716-48-2.
What is the molecular formula of BAS 09867645?
The molecular formula of BAS 09867645 is C16H16ClN5O3.
What is the molecular weight of BAS 09867645?
The molecular weight of BAS 09867645 is 361.09 g/mol.
Where can I buy BAS 09867645?
You can request a quote for BAS 09867645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09867645?
Yes, KEHONG BIO provides custom synthesis services for BAS 09867645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.