Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester
TL;DR: Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester (CAS 30411-35-9) is a chemical compound with molecular formula C8H14N2O3S and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1Z)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
Also Known As: N-((Acetylmethylcarbamoyl)oxy)thioacetimidic acid ethyl ester, ACETIMIDIC ACID, N-((ACETYLMETHYLCARBAMOYL)OXY)THIO-, ETHYL ESTER, ethyl (1Z)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate, RefChem:1075865, BRN 2096034
| Molecular Formula | C8H14N2O3S |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.6878 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.07251 |
| Heavy Atoms | 14 |
| Complexity | 252.97095 |
Chemical Identifiers
| CAS Number | 30411-35-9 |
|---|---|
| SMILES | CCS/C(=N\OC(=O)N(C)C(=O)C)/C |
Product Overview
Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester (CAS 30411-35-9), with molecular formula C8H14N2O3S and molecular weight 218.07 g/mol. IUPAC: ethyl (1Z)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate.
Chemical Property Profile of Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester
Property Insights of Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester
The XLogP value of 1.6878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester. With a topological polar surface area (TPSA) of 58.97 Ų, Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester?
The CAS number of Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester is 30411-35-9.
What is the molecular formula of Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester?
The molecular formula of Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester is C8H14N2O3S.
What is the molecular weight of Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester?
The molecular weight of Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester is 218.07 g/mol.
Where can I buy Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester?
You can request a quote for Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetimidic acid, N-((acetylmethylcarbamoyl)oxy)thio-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.