RefChem:1084417
TL;DR: RefChem:1084417 (CAS 84384-90-7) is a chemical compound with molecular formula C13H19N3O4S2 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-N-[methyl(3-pyridin-3-ylpropoxysulfinyl)carbamoyl]oxyethanimidothioate
Also Known As: Ethanimidothioic acid, N-(((methyl((3-(3-pyridinyl)propoxy)sulfinyl)amino)carbonyl)oxy)-, methyl ester, (1-methylsulfanylethylideneamino) N-methyl-N-(3-pyridin-3-ylpropoxysulfinyl)carbamate, RefChem:1084417
| Molecular Formula | C13H19N3O4S2 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 2.3743 |
| Topological Polar Surface Area | 81.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.0817 |
| Heavy Atoms | 22 |
| Complexity | 525.2763 |
Chemical Identifiers
| CAS Number | 84384-90-7 |
|---|---|
| SMILES | C/C(=N\OC(=O)N(C)S(=O)OCCCC1=CN=CC=C1)/SC |
Product Overview
RefChem:1084417 (CAS 84384-90-7), with molecular formula C13H19N3O4S2 and molecular weight 345.08 g/mol. IUPAC: methyl (1E)-N-[methyl(3-pyridin-3-ylpropoxysulfinyl)carbamoyl]oxyethanimidothioate.
Chemical Property Profile of RefChem:1084417
Property Insights of RefChem:1084417
The XLogP value of 2.3743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084417. The TPSA of 81.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084417. Following Lipinski's Rule of Five, RefChem:1084417 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:1084417?
The CAS number of RefChem:1084417 is 84384-90-7.
What is the molecular formula of RefChem:1084417?
The molecular formula of RefChem:1084417 is C13H19N3O4S2.
What is the molecular weight of RefChem:1084417?
The molecular weight of RefChem:1084417 is 345.08 g/mol.
Where can I buy RefChem:1084417?
You can request a quote for RefChem:1084417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084417?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.