RefChem:1074121
TL;DR: RefChem:1074121 (CAS 65907-56-4) is a chemical compound with molecular formula C12H22N4O5S2 and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-2-(dimethylamino)-N-[methyl-[methyl(propan-2-yloxycarbonyl)amino]sulfanylcarbamoyl]oxy-2-oxoethanimidothioate
Also Known As: 6-Oxa-3-thia-2,4,7,10-tetraazaundec-7-enoic acid, 2,4,10-trimethyl-8-(methylthio)-5,9-dioxo-,1-methylethyl ester, RefChem:1074121, BRN 2174039
| Molecular Formula | C12H22N4O5S2 |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 1.8595 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.10315 |
| Heavy Atoms | 23 |
| Complexity | 470.3674 |
Chemical Identifiers
| CAS Number | 65907-56-4 |
|---|---|
| SMILES | CC(C)OC(=O)N(C)SN(C)C(=O)O/N=C(/C(=O)N(C)C)\SC |
Product Overview
RefChem:1074121 (CAS 65907-56-4), with molecular formula C12H22N4O5S2 and molecular weight 366.10 g/mol. IUPAC: methyl (1Z)-2-(dimethylamino)-N-[methyl-[methyl(propan-2-yloxycarbonyl)amino]sulfanylcarbamoyl]oxy-2-oxoethanimidothioate.
Chemical Property Profile of RefChem:1074121
Property Insights of RefChem:1074121
The XLogP value of 1.8595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074121. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074121. Following Lipinski's Rule of Five, RefChem:1074121 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:1074121?
The CAS number of RefChem:1074121 is 65907-56-4.
What is the molecular formula of RefChem:1074121?
The molecular formula of RefChem:1074121 is C12H22N4O5S2.
What is the molecular weight of RefChem:1074121?
The molecular weight of RefChem:1074121 is 366.10 g/mol.
Where can I buy RefChem:1074121?
You can request a quote for RefChem:1074121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074121?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.