RefChem:1084415
TL;DR: RefChem:1084415 (CAS 84384-89-4) is a chemical compound with molecular formula C12H17N3O4S2 and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-N-[methyl(2-pyridin-2-ylethoxysulfinyl)carbamoyl]oxyethanimidothioate
Also Known As: Methyl N-(((methyl((2-(2-pyridinyl)ethoxy)sulfinyl)amino)carbonyl)oxy)ethanimidothioate, Ethanimidothioic acid, N-(((methyl((2-(2-pyridinyl)ethoxy)sulfinyl)amino)carbonyl)oxy)-, methyl ester, RefChem:1084415
| Molecular Formula | C12H17N3O4S2 |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 1.9842 |
| Topological Polar Surface Area | 81.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.06604 |
| Heavy Atoms | 21 |
| Complexity | 510.48383 |
Chemical Identifiers
| CAS Number | 84384-89-4 |
|---|---|
| SMILES | C/C(=N\OC(=O)N(C)S(=O)OCCC1=CC=CC=N1)/SC |
Product Overview
RefChem:1084415 (CAS 84384-89-4), with molecular formula C12H17N3O4S2 and molecular weight 331.07 g/mol. IUPAC: methyl (1E)-N-[methyl(2-pyridin-2-ylethoxysulfinyl)carbamoyl]oxyethanimidothioate.
Chemical Property Profile of RefChem:1084415
Property Insights of RefChem:1084415
The XLogP value of 1.9842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084415. The TPSA of 81.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084415. Following Lipinski's Rule of Five, RefChem:1084415 has 0 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 RefChem:1084415?
The CAS number of RefChem:1084415 is 84384-89-4.
What is the molecular formula of RefChem:1084415?
The molecular formula of RefChem:1084415 is C12H17N3O4S2.
What is the molecular weight of RefChem:1084415?
The molecular weight of RefChem:1084415 is 331.07 g/mol.
Where can I buy RefChem:1084415?
You can request a quote for RefChem:1084415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084415?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.