BAS 01108316
TL;DR: BAS 01108316 (CAS 313382-10-4) is a chemical compound with molecular formula C21H15N5O3S and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-6-cyano-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: BAS 01108316, methyl 5-amino-6-cyano-3-oxo-7-(pyridin-3-yl)-2-(pyridin-3-ylmethylene)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, methyl 5-amino-6-cyano-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C21H15N5O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 0.30058 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.08957 |
| Heavy Atoms | 30 |
| Complexity | 1382.3789 |
Chemical Identifiers
| CAS Number | 313382-10-4 |
|---|---|
| SMILES | COC(=O)C1=C2N(C(=C(C1C3=CN=CC=C3)C#N)N)C(=O)C(=CC4=CN=CC=C4)S2 |
Product Overview
BAS 01108316 (CAS 313382-10-4), with molecular formula C21H15N5O3S and molecular weight 417.09 g/mol. IUPAC: methyl 5-amino-6-cyano-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of BAS 01108316
Property Insights of BAS 01108316
The XLogP value of 0.30058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108316. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108316. Following Lipinski's Rule of Five, BAS 01108316 has 1 hydrogen bond donor(s) and 8 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 01108316?
The CAS number of BAS 01108316 is 313382-10-4.
What is the molecular formula of BAS 01108316?
The molecular formula of BAS 01108316 is C21H15N5O3S.
What is the molecular weight of BAS 01108316?
The molecular weight of BAS 01108316 is 417.09 g/mol.
Where can I buy BAS 01108316?
You can request a quote for BAS 01108316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108316?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.