BAS 01108178
TL;DR: BAS 01108178 (CAS 313381-55-4) is a chemical compound with molecular formula C22H17N5O3S and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-amino-6-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: BAS 01108178, (Z)-ethyl 5-amino-6-cyano-3-oxo-7-(pyridin-4-yl)-2-(pyridin-4-ylmethylene)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(pyridin-4-yl)-2-(pyridin-4-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, ethyl (2Z)-5-amino-6-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C22H17N5O3S |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 0.69068 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.10522 |
| Heavy Atoms | 31 |
| Complexity | 1399.3085 |
Chemical Identifiers
| CAS Number | 313381-55-4 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=NC=C3)C#N)N)C(=O)/C(=C/C4=CC=NC=C4)/S2 |
Product Overview
BAS 01108178 (CAS 313381-55-4), with molecular formula C22H17N5O3S and molecular weight 431.11 g/mol. IUPAC: ethyl (2Z)-5-amino-6-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of BAS 01108178
Property Insights of BAS 01108178
The XLogP value of 0.69068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01108178. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01108178. Following Lipinski's Rule of Five, BAS 01108178 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 01108178?
The CAS number of BAS 01108178 is 313381-55-4.
What is the molecular formula of BAS 01108178?
The molecular formula of BAS 01108178 is C22H17N5O3S.
What is the molecular weight of BAS 01108178?
The molecular weight of BAS 01108178 is 431.11 g/mol.
Where can I buy BAS 01108178?
You can request a quote for BAS 01108178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01108178?
Yes, KEHONG BIO provides custom synthesis services for BAS 01108178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.