BAS 09867648
TL;DR: BAS 09867648 (CAS 876716-54-0) is a chemical compound with molecular formula C16H15Cl2N5O3 and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(2,4-dichlorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: BAS 09867648, methyl 2-(2-((2,4-dichlorobenzyl)amino)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate, methyl {2-[(2,4-dichlorobenzyl)amino]-5-methyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate, methyl 2-[2-[(2,4-dichlorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
| Molecular Formula | C16H15Cl2N5O3 |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 2.36042 |
| Topological Polar Surface Area | 101.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.0552 |
| Heavy Atoms | 26 |
| Complexity | 1044.2766 |
Chemical Identifiers
| CAS Number | 876716-54-0 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=C(C=C(C=C3)Cl)Cl)CC(=O)OC |
Product Overview
BAS 09867648 (CAS 876716-54-0), with molecular formula C16H15Cl2N5O3 and molecular weight 395.06 g/mol. IUPAC: methyl 2-[2-[(2,4-dichlorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of BAS 09867648
Property Insights of BAS 09867648
The XLogP value of 2.36042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09867648. The TPSA of 101.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09867648. Following Lipinski's Rule of Five, BAS 09867648 has 2 hydrogen bond donor(s) and 6 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 09867648?
The CAS number of BAS 09867648 is 876716-54-0.
What is the molecular formula of BAS 09867648?
The molecular formula of BAS 09867648 is C16H15Cl2N5O3.
What is the molecular weight of BAS 09867648?
The molecular weight of BAS 09867648 is 395.06 g/mol.
Where can I buy BAS 09867648?
You can request a quote for BAS 09867648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09867648?
Yes, KEHONG BIO provides custom synthesis services for BAS 09867648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.