BAS 10852291
TL;DR: BAS 10852291 (CAS 876881-18-4) is a chemical compound with molecular formula C14H17N3O3S4 and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: BAS 10852291, ethyl 4,5-dimethyl-2-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-(2-((3-(methylthio)-1,2,4-thiadiazol-5-yl)thio)acetamido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[({[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
| Molecular Formula | C14H17N3O3S4 |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 3.84584 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.0153 |
| Heavy Atoms | 24 |
| Complexity | 741.7004 |
Chemical Identifiers
| CAS Number | 876881-18-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=NS2)SC |
Product Overview
BAS 10852291 (CAS 876881-18-4), with molecular formula C14H17N3O3S4 and molecular weight 403.02 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of BAS 10852291
Property Insights of BAS 10852291
The XLogP value of 3.84584 indicates that BAS 10852291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10852291. Following Lipinski's Rule of Five, BAS 10852291 has 1 hydrogen bond donor(s) and 9 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 10852291?
The CAS number of BAS 10852291 is 876881-18-4.
What is the molecular formula of BAS 10852291?
The molecular formula of BAS 10852291 is C14H17N3O3S4.
What is the molecular weight of BAS 10852291?
The molecular weight of BAS 10852291 is 403.02 g/mol.
Where can I buy BAS 10852291?
You can request a quote for BAS 10852291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10852291?
Yes, KEHONG BIO provides custom synthesis services for BAS 10852291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.