butyl N-(2-carbamimidoylsulfanylethyl)carbamate
TL;DR: butyl N-(2-carbamimidoylsulfanylethyl)carbamate (CAS 6345-35-3) is a chemical compound with molecular formula C8H17N3O2S and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(2-carbamimidoylsulfanylethyl)carbamate
Also Known As: butyl N-(2-carbamimidoylsulfanylethyl)carbamate, Diaethyl-N-o-chlorphenylphosphoramidat, Butyl [2-(carbamimidoylsulfanyl)ethyl]carbamate
| Molecular Formula | C8H17N3O2S |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 219.10414 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 6345-35-3 |
|---|---|
| SMILES | CCCCOC(=O)NCCSC(=N)N |
| InChIKey | XINLJIOBKOXRND-UHFFFAOYSA-N |
Product Overview
butyl N-(2-carbamimidoylsulfanylethyl)carbamate (CAS 6345-35-3), with molecular formula C8H17N3O2S and molecular weight 219.10 g/mol. IUPAC: butyl N-(2-carbamimidoylsulfanylethyl)carbamate.
Chemical Property Profile of butyl N-(2-carbamimidoylsulfanylethyl)carbamate
Property Insights of butyl N-(2-carbamimidoylsulfanylethyl)carbamate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl N-(2-carbamimidoylsulfanylethyl)carbamate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl N-(2-carbamimidoylsulfanylethyl)carbamate. Following Lipinski's Rule of Five, butyl N-(2-carbamimidoylsulfanylethyl)carbamate has 3 hydrogen bond donor(s) and 4 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 butyl N-(2-carbamimidoylsulfanylethyl)carbamate?
The CAS number of butyl N-(2-carbamimidoylsulfanylethyl)carbamate is 6345-35-3.
What is the molecular formula of butyl N-(2-carbamimidoylsulfanylethyl)carbamate?
The molecular formula of butyl N-(2-carbamimidoylsulfanylethyl)carbamate is C8H17N3O2S.
What is the molecular weight of butyl N-(2-carbamimidoylsulfanylethyl)carbamate?
The molecular weight of butyl N-(2-carbamimidoylsulfanylethyl)carbamate is 219.10 g/mol.
Where can I buy butyl N-(2-carbamimidoylsulfanylethyl)carbamate?
You can request a quote for butyl N-(2-carbamimidoylsulfanylethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl N-(2-carbamimidoylsulfanylethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for butyl N-(2-carbamimidoylsulfanylethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.