BAS 12772375
TL;DR: BAS 12772375 (CAS 878429-49-3) is a chemical compound with molecular formula C14H17N3O4S3 and molecular weight 387.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Also Known As: BAS 12772375, 3-(benzenesulfonyl)-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide, 3-Benzenesulfonyl-N-[5-(2-methoxy-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-propionamide, N-[5-(2-methoxyethylthio)(1,3,4-thiadiazol-2-yl)]-3-(phenylsulfonyl)propanamid e, N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfonyl)propanamide
| Molecular Formula | C14H17N3O4S3 |
|---|---|
| Molecular Weight | 387.04 g/mol |
| LogP | 2.0791 |
| Topological Polar Surface Area | 98.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 387.03812 |
| Heavy Atoms | 24 |
| Complexity | 762.58167 |
Chemical Identifiers
| CAS Number | 878429-49-3 |
|---|---|
| SMILES | COCCSC1=NN=C(S1)NC(=O)CCS(=O)(=O)C2=CC=CC=C2 |
Product Overview
BAS 12772375 (CAS 878429-49-3), with molecular formula C14H17N3O4S3 and molecular weight 387.04 g/mol. IUPAC: 3-(benzenesulfonyl)-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide.
Chemical Property Profile of BAS 12772375
Property Insights of BAS 12772375
The XLogP value of 2.0791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12772375. The TPSA of 98.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12772375. Following Lipinski's Rule of Five, BAS 12772375 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 12772375?
The CAS number of BAS 12772375 is 878429-49-3.
What is the molecular formula of BAS 12772375?
The molecular formula of BAS 12772375 is C14H17N3O4S3.
What is the molecular weight of BAS 12772375?
The molecular weight of BAS 12772375 is 387.04 g/mol.
Where can I buy BAS 12772375?
You can request a quote for BAS 12772375 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12772375?
Yes, KEHONG BIO provides custom synthesis services for BAS 12772375 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.