AB00672427-01
TL;DR: AB00672427-01 (CAS 394237-03-7) is a chemical compound with molecular formula C16H18ClN3O3S2 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylacetate
Also Known As: AB00672427-01, F0748-0424, ethyl 2-((1-((5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl)amino)-1-oxobutan-2-yl)thio)acetate, ethyl 2-[(1-{[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propyl)sulfanyl]acetate, ethyl 2-[1-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylacetate
| Molecular Formula | C16H18ClN3O3S2 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 3.8719 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.04782 |
| Heavy Atoms | 25 |
| Complexity | 738.9199 |
Chemical Identifiers
| CAS Number | 394237-03-7 |
|---|---|
| SMILES | CCC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2Cl)SCC(=O)OCC |
Product Overview
AB00672427-01 (CAS 394237-03-7), with molecular formula C16H18ClN3O3S2 and molecular weight 399.05 g/mol. IUPAC: ethyl 2-[1-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylacetate.
Chemical Property Profile of AB00672427-01
Property Insights of AB00672427-01
The XLogP value of 3.8719 indicates that AB00672427-01 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 AB00672427-01. Following Lipinski's Rule of Five, AB00672427-01 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 AB00672427-01?
The CAS number of AB00672427-01 is 394237-03-7.
What is the molecular formula of AB00672427-01?
The molecular formula of AB00672427-01 is C16H18ClN3O3S2.
What is the molecular weight of AB00672427-01?
The molecular weight of AB00672427-01 is 399.05 g/mol.
Where can I buy AB00672427-01?
You can request a quote for AB00672427-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672427-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672427-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.