A2713/0115396
TL;DR: A2713/0115396 (CAS 442638-93-9) is a chemical compound with molecular formula C12H10ClF2N3O2S2 and molecular weight 364.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Also Known As: A2713/0115396, N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide, N-(4-[Chloro(difluoro)methoxy]phenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide #, N-[4-(Chloro-difluoro-methoxy)-phenyl]-2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetamide, N-[4-(CHLORODIFLUOROMETHOXY)PHENYL]-2-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETAMIDE
| Molecular Formula | C12H10ClF2N3O2S2 |
|---|---|
| Molecular Weight | 364.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.9871 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 442638-93-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)OC(F)(F)Cl |
| InChIKey | AQBHEXNTXWOESC-UHFFFAOYSA-N |
Product Overview
A2713/0115396 (CAS 442638-93-9), with molecular formula C12H10ClF2N3O2S2 and molecular weight 364.99 g/mol. IUPAC: N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of A2713/0115396
Property Insights of A2713/0115396
The XLogP value of 3.9 indicates that A2713/0115396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2713/0115396. Following Lipinski's Rule of Five, A2713/0115396 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 A2713/0115396?
The CAS number of A2713/0115396 is 442638-93-9.
What is the molecular formula of A2713/0115396?
The molecular formula of A2713/0115396 is C12H10ClF2N3O2S2.
What is the molecular weight of A2713/0115396?
The molecular weight of A2713/0115396 is 364.99 g/mol.
Where can I buy A2713/0115396?
You can request a quote for A2713/0115396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2713/0115396?
Yes, KEHONG BIO provides custom synthesis services for A2713/0115396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.