RefChem:1075863
TL;DR: RefChem:1075863 (CAS 30411-38-2) is a chemical compound with molecular formula C9H12ClN3O3S and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl (1E)-N-[(2-chloroacetyl)-methylcarbamoyl]oxyethanimidothioate
Also Known As: Acetimidic acid, N-(((chloroacetyl)methylcarbamoyl)oxy)thio-, ester with 3-mercaptopropionitrile, RefChem:1075863, BRN 2129638
| Molecular Formula | C9H12ClN3O3S |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | 1.80048 |
| Topological Polar Surface Area | 82.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.02878 |
| Heavy Atoms | 17 |
| Complexity | 353.88547 |
Chemical Identifiers
| CAS Number | 30411-38-2 |
|---|---|
| SMILES | C/C(=N\OC(=O)N(C)C(=O)CCl)/SCCC#N |
Product Overview
RefChem:1075863 (CAS 30411-38-2), with molecular formula C9H12ClN3O3S and molecular weight 277.03 g/mol. IUPAC: 2-cyanoethyl (1E)-N-[(2-chloroacetyl)-methylcarbamoyl]oxyethanimidothioate.
Chemical Property Profile of RefChem:1075863
Property Insights of RefChem:1075863
The XLogP value of 1.80048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075863. The TPSA of 82.76 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1075863. Following Lipinski's Rule of Five, RefChem:1075863 has 0 hydrogen bond donor(s) and 6 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:1075863?
The CAS number of RefChem:1075863 is 30411-38-2.
What is the molecular formula of RefChem:1075863?
The molecular formula of RefChem:1075863 is C9H12ClN3O3S.
What is the molecular weight of RefChem:1075863?
The molecular weight of RefChem:1075863 is 277.03 g/mol.
Where can I buy RefChem:1075863?
You can request a quote for RefChem:1075863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075863?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.