BAS 09537913
TL;DR: BAS 09537913 (CAS 694502-65-3) is a chemical compound with molecular formula C19H17ClN4O3S2 and molecular weight 448.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: BAS 09537913, F1838-3447, 2-chloro-N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide, 2-{5-[(2-chlorophenyl)carbonylamino](1,3,4-thiadiazol-2-ylthio)}-N-(2-ethoxyph enyl)acetamide, 2-chloro-N-(5-((2-((2-ethoxyphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
| Molecular Formula | C19H17ClN4O3S2 |
|---|---|
| Molecular Weight | 448.04 g/mol |
| LogP | 4.5733 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.04306 |
| Heavy Atoms | 29 |
| Complexity | 1012.37915 |
Chemical Identifiers
| CAS Number | 694502-65-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
BAS 09537913 (CAS 694502-65-3), with molecular formula C19H17ClN4O3S2 and molecular weight 448.04 g/mol. IUPAC: 2-chloro-N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of BAS 09537913
Property Insights of BAS 09537913
The XLogP value of 4.5733 indicates that BAS 09537913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09537913. Following Lipinski's Rule of Five, BAS 09537913 has 2 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 09537913?
The CAS number of BAS 09537913 is 694502-65-3.
What is the molecular formula of BAS 09537913?
The molecular formula of BAS 09537913 is C19H17ClN4O3S2.
What is the molecular weight of BAS 09537913?
The molecular weight of BAS 09537913 is 448.04 g/mol.
Where can I buy BAS 09537913?
You can request a quote for BAS 09537913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09537913?
Yes, KEHONG BIO provides custom synthesis services for BAS 09537913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.