2-Propyn-1-yl N-(4-methoxyphenyl)carbamate
TL;DR: 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate (CAS 831241-57-7) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl N-(4-methoxyphenyl)carbamate
Also Known As: 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate, prop-2-ynyl N-(4-methoxyphenyl)carbamate, (4-Methoxyphenyl)carbamic acid propargyl ester, 2-propyn-1-yl (4-methoxyphenyl)carbamate, prop-2-yn-1-yl (4-methoxyphenyl)carbamate
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.8769 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 364.41458 |
Chemical Identifiers
| CAS Number | 831241-57-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)OCC#C |
Product Overview
2-Propyn-1-yl N-(4-methoxyphenyl)carbamate (CAS 831241-57-7), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: prop-2-ynyl N-(4-methoxyphenyl)carbamate.
Chemical Property Profile of 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate
Property Insights of 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate
The XLogP value of 1.8769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate. With a topological polar surface area (TPSA) of 47.56 Ų, 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate has 1 hydrogen bond donor(s) and 3 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 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate?
The CAS number of 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate is 831241-57-7.
What is the molecular formula of 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate?
The molecular formula of 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate is C11H11NO3.
What is the molecular weight of 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate?
The molecular weight of 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate is 205.07 g/mol.
Where can I buy 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate?
You can request a quote for 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyn-1-yl N-(4-methoxyphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.