RefChem:1074115
TL;DR: RefChem:1074115 (CAS 65907-52-0) is a chemical compound with molecular formula C11H21N3O4S2 and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-N-[[ethyl(propan-2-yloxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Also Known As: 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2-ethyl-4,8-dimethyl-5-oxo-, 1-methylethyl ester, 2-Ethyl-4,8-dimethyl-5-oxo-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid 1-methylethyl ester, RefChem:1074115, BRN 2145703
| Molecular Formula | C11H21N3O4S2 |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 3.1813 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.09735 |
| Heavy Atoms | 20 |
| Complexity | 363.5774 |
Chemical Identifiers
| CAS Number | 65907-52-0 |
|---|---|
| SMILES | CCN(C(=O)OC(C)C)SN(C)C(=O)O/N=C(\C)/SC |
Product Overview
RefChem:1074115 (CAS 65907-52-0), with molecular formula C11H21N3O4S2 and molecular weight 323.10 g/mol. IUPAC: methyl (1E)-N-[[ethyl(propan-2-yloxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of RefChem:1074115
Property Insights of RefChem:1074115
The XLogP value of 3.1813 indicates that RefChem:1074115 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074115. Following Lipinski's Rule of Five, RefChem:1074115 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:1074115?
The CAS number of RefChem:1074115 is 65907-52-0.
What is the molecular formula of RefChem:1074115?
The molecular formula of RefChem:1074115 is C11H21N3O4S2.
What is the molecular weight of RefChem:1074115?
The molecular weight of RefChem:1074115 is 323.10 g/mol.
Where can I buy RefChem:1074115?
You can request a quote for RefChem:1074115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074115?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.