AB00685129-01
TL;DR: AB00685129-01 (CAS 394231-70-0) is a chemical compound with molecular formula C15H17N3O4S2 and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
Also Known As: AB00685129-01, F0748-0114, ethyl 2-((2-((5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)acetate, ethyl 2-[({[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]acetate, ethyl 2-[2-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
| Molecular Formula | C15H17N3O4S2 |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 2.4485 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.06604 |
| Heavy Atoms | 24 |
| Complexity | 705.53253 |
Chemical Identifiers
| CAS Number | 394231-70-0 |
|---|---|
| SMILES | CCOC(=O)CSCC(=O)NC1=NN=C(S1)C2=CC=CC=C2OC |
Product Overview
AB00685129-01 (CAS 394231-70-0), with molecular formula C15H17N3O4S2 and molecular weight 367.07 g/mol. IUPAC: ethyl 2-[2-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of AB00685129-01
Property Insights of AB00685129-01
The XLogP value of 2.4485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685129-01. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685129-01. Following Lipinski's Rule of Five, AB00685129-01 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 AB00685129-01?
The CAS number of AB00685129-01 is 394231-70-0.
What is the molecular formula of AB00685129-01?
The molecular formula of AB00685129-01 is C15H17N3O4S2.
What is the molecular weight of AB00685129-01?
The molecular weight of AB00685129-01 is 367.07 g/mol.
Where can I buy AB00685129-01?
You can request a quote for AB00685129-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685129-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685129-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.