Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester
TL;DR: Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester (CAS 16253-32-0) is a chemical compound with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyrrolidin-1-ylbut-2-ynyl N-methylcarbamate
Also Known As: 4-pyrrolidin-1-ylbut-2-ynyl N-methylcarbamate, CARBAMIC ACID, METHYL-, 4-(1-PYRROLIDINYL)-2-BUTYNYL ESTER, Methylcarbamic acid 4-(1-pyrrolidinyl)-2-butynyl ester, 4-(1-Pyrrolidinyl)-2-butynyl=N-methylcarbamate, 4-(pyrrolidin-1-yl)but-2-yn-1-yl methylcarbamate
| Molecular Formula | C10H16N2O2 |
|---|---|
| Molecular Weight | 196.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.12119 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 16253-32-0 |
|---|---|
| SMILES | CNC(=O)OCC#CCN1CCCC1 |
| InChIKey | RXERGIYKNYMWOU-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester (CAS 16253-32-0), with molecular formula C10H16N2O2 and molecular weight 196.12 g/mol. IUPAC: 4-pyrrolidin-1-ylbut-2-ynyl N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester
Property Insights of Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester. With a topological polar surface area (TPSA) of 41.6 Ų, Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester 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 Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester?
The CAS number of Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester is 16253-32-0.
What is the molecular formula of Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester?
The molecular formula of Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester is C10H16N2O2.
What is the molecular weight of Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester?
The molecular weight of Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester is 196.12 g/mol.
Where can I buy Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester?
You can request a quote for Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, 4-(1-pyrrolidinyl)-2-butynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.