RefChem:1074116
TL;DR: RefChem:1074116 (CAS 65907-53-1) is a chemical compound with molecular formula C14H27N3O4S2 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-N-[[ethyl(hexoxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Also Known As: 2-Ethyl-4,8-dimethyl-5-oxo-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid hexyl ester, 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2-ethyl-4,8-dimethyl-5-oxo-, hexyl ester, RefChem:1074116, BRN 2168333
| Molecular Formula | C14H27N3O4S2 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 4.3532 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 365.1443 |
| Heavy Atoms | 23 |
| Complexity | 394.21866 |
Chemical Identifiers
| CAS Number | 65907-53-1 |
|---|---|
| SMILES | CCCCCCOC(=O)N(CC)SN(C)C(=O)O/N=C(\C)/SC |
Product Overview
RefChem:1074116 (CAS 65907-53-1), with molecular formula C14H27N3O4S2 and molecular weight 365.14 g/mol. IUPAC: methyl (1E)-N-[[ethyl(hexoxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of RefChem:1074116
Property Insights of RefChem:1074116
The XLogP value of 4.3532 indicates that RefChem:1074116 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:1074116. Following Lipinski's Rule of Five, RefChem:1074116 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:1074116?
The CAS number of RefChem:1074116 is 65907-53-1.
What is the molecular formula of RefChem:1074116?
The molecular formula of RefChem:1074116 is C14H27N3O4S2.
What is the molecular weight of RefChem:1074116?
The molecular weight of RefChem:1074116 is 365.14 g/mol.
Where can I buy RefChem:1074116?
You can request a quote for RefChem:1074116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074116?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.