RefChem:1074124
TL;DR: RefChem:1074124 (CAS 65907-58-6) is a chemical compound with molecular formula C16H30N4O5S2 and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-2-(dimethylamino)-N-[[ethyl(hexoxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxy-2-oxoethanimidothioate
Also Known As: 6-Oxa-3-thia-2,4,7,10-tetraazaundec-7-enoic acid, 2-ethyl-4,10-dimethyl-8-(methylthio)-5,9-dioxo-, hexyl ester, RefChem:1074124, BRN 2183030
| Molecular Formula | C16H30N4O5S2 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 3.4215 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.16577 |
| Heavy Atoms | 27 |
| Complexity | 517.0391 |
Chemical Identifiers
| CAS Number | 65907-58-6 |
|---|---|
| SMILES | CCCCCCOC(=O)N(CC)SN(C)C(=O)O/N=C(/C(=O)N(C)C)\SC |
Product Overview
RefChem:1074124 (CAS 65907-58-6), with molecular formula C16H30N4O5S2 and molecular weight 422.17 g/mol. IUPAC: methyl (1Z)-2-(dimethylamino)-N-[[ethyl(hexoxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxy-2-oxoethanimidothioate.
Chemical Property Profile of RefChem:1074124
Property Insights of RefChem:1074124
The XLogP value of 3.4215 indicates that RefChem:1074124 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074124. Following Lipinski's Rule of Five, RefChem:1074124 has 0 hydrogen bond donor(s) and 8 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:1074124?
The CAS number of RefChem:1074124 is 65907-58-6.
What is the molecular formula of RefChem:1074124?
The molecular formula of RefChem:1074124 is C16H30N4O5S2.
What is the molecular weight of RefChem:1074124?
The molecular weight of RefChem:1074124 is 422.17 g/mol.
Where can I buy RefChem:1074124?
You can request a quote for RefChem:1074124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074124?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.