RefChem:1074117
TL;DR: RefChem:1074117 (CAS 77248-40-9) is a chemical compound with molecular formula C11H21N3O5S2 and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1E)-N-[[2-hydroxyethyl(propoxycarbonyl)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 propyl ester 3-oxide, 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2-ethyl-4,8-dimethyl-5-oxo-, propyl ester, 3-oxide, RefChem:1074117
| Molecular Formula | C11H21N3O5S2 |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 2.1553 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.09225 |
| Heavy Atoms | 21 |
| Complexity | 367.76785 |
Chemical Identifiers
| CAS Number | 77248-40-9 |
|---|---|
| SMILES | CCCOC(=O)N(CCO)SN(C)C(=O)O/N=C(\C)/SC |
Product Overview
RefChem:1074117 (CAS 77248-40-9), with molecular formula C11H21N3O5S2 and molecular weight 339.09 g/mol. IUPAC: methyl (1E)-N-[[2-hydroxyethyl(propoxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of RefChem:1074117
Property Insights of RefChem:1074117
The XLogP value of 2.1553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074117. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074117. Following Lipinski's Rule of Five, RefChem:1074117 has 1 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:1074117?
The CAS number of RefChem:1074117 is 77248-40-9.
What is the molecular formula of RefChem:1074117?
The molecular formula of RefChem:1074117 is C11H21N3O5S2.
What is the molecular weight of RefChem:1074117?
The molecular weight of RefChem:1074117 is 339.09 g/mol.
Where can I buy RefChem:1074117?
You can request a quote for RefChem:1074117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074117?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.