BAS 12945206
TL;DR: BAS 12945206 (CAS 853751-82-3) is a chemical compound with molecular formula C14H14N4O2S3 and molecular weight 366.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
Also Known As: BAS 12945206, F0643-0473, AT-057/43467957, N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide, N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
| Molecular Formula | C14H14N4O2S3 |
|---|---|
| Molecular Weight | 366.03 g/mol |
| LogP | 3.0553 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.0279 |
| Heavy Atoms | 23 |
| Complexity | 883.4101 |
Chemical Identifiers
| CAS Number | 853751-82-3 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CCN2C3=CC=CC=C3SC2=O |
Product Overview
BAS 12945206 (CAS 853751-82-3), with molecular formula C14H14N4O2S3 and molecular weight 366.03 g/mol. IUPAC: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
Chemical Property Profile of BAS 12945206
Property Insights of BAS 12945206
The XLogP value of 3.0553 indicates that BAS 12945206 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12945206. Following Lipinski's Rule of Five, BAS 12945206 has 1 hydrogen bond donor(s) and 7 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 12945206?
The CAS number of BAS 12945206 is 853751-82-3.
What is the molecular formula of BAS 12945206?
The molecular formula of BAS 12945206 is C14H14N4O2S3.
What is the molecular weight of BAS 12945206?
The molecular weight of BAS 12945206 is 366.03 g/mol.
Where can I buy BAS 12945206?
You can request a quote for BAS 12945206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12945206?
Yes, KEHONG BIO provides custom synthesis services for BAS 12945206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.