RefChem:1084402
TL;DR: RefChem:1084402 (CAS 81862-01-3) is a chemical compound with molecular formula C13H23N3O7S2 and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-2-(dimethylamino)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxysulfinyl-methylcarbamoyl]oxy-2-oxoethanimidothioate
Also Known As: Ethanimidothioic acid, 2-(dimethylamino)-N-((((((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)sulfinyl)methylamino)carbonyl)oxy)-2-oxo-, methyl ester, RefChem:1084402
| Molecular Formula | C13H23N3O7S2 |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 0.5663 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.09775 |
| Heavy Atoms | 25 |
| Complexity | 553.7407 |
Chemical Identifiers
| CAS Number | 81862-01-3 |
|---|---|
| SMILES | CC1(OCC(O1)COS(=O)N(C)C(=O)O/N=C(/C(=O)N(C)C)\SC)C |
Product Overview
RefChem:1084402 (CAS 81862-01-3), with molecular formula C13H23N3O7S2 and molecular weight 397.10 g/mol. IUPAC: methyl (1Z)-2-(dimethylamino)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxysulfinyl-methylcarbamoyl]oxy-2-oxoethanimidothioate.
Chemical Property Profile of RefChem:1084402
Property Insights of RefChem:1084402
The XLogP value of 0.5663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084402. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084402. Following Lipinski's Rule of Five, RefChem:1084402 has 0 hydrogen bond donor(s) and 9 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:1084402?
The CAS number of RefChem:1084402 is 81862-01-3.
What is the molecular formula of RefChem:1084402?
The molecular formula of RefChem:1084402 is C13H23N3O7S2.
What is the molecular weight of RefChem:1084402?
The molecular weight of RefChem:1084402 is 397.10 g/mol.
Where can I buy RefChem:1084402?
You can request a quote for RefChem:1084402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084402?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.