3-Butyn-2-ol, methyl-, carbamate
TL;DR: 3-Butyn-2-ol, methyl-, carbamate (CAS 5331-13-5) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-3-yn-2-yl carbamate
Also Known As: Carbavine, 2-methylbut-3-yn-2-yl carbamate, Methyl-3-butyn-2-ol carbamate, 3-Butyn-2-ol, methyl-, carbamate, 1,1-DIMETHYL-2-PROPYNYLCARBAMATE
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 5331-13-5 |
|---|---|
| SMILES | CC(C)(C#C)OC(=O)N |
| InChIKey | SDJNOBUNFYNROE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butyn-2-ol, methyl-, carbamate (CAS 5331-13-5), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 2-methylbut-3-yn-2-yl carbamate.
Chemical Property Profile of 3-Butyn-2-ol, methyl-, carbamate
Property Insights of 3-Butyn-2-ol, methyl-, carbamate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-2-ol, methyl-, carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 3-Butyn-2-ol, methyl-, carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyn-2-ol, methyl-, carbamate has 1 hydrogen bond donor(s) and 2 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 3-Butyn-2-ol, methyl-, carbamate?
The CAS number of 3-Butyn-2-ol, methyl-, carbamate is 5331-13-5.
What is the molecular formula of 3-Butyn-2-ol, methyl-, carbamate?
The molecular formula of 3-Butyn-2-ol, methyl-, carbamate is C6H9NO2.
What is the molecular weight of 3-Butyn-2-ol, methyl-, carbamate?
The molecular weight of 3-Butyn-2-ol, methyl-, carbamate is 127.06 g/mol.
Where can I buy 3-Butyn-2-ol, methyl-, carbamate?
You can request a quote for 3-Butyn-2-ol, methyl-, carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyn-2-ol, methyl-, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-2-ol, methyl-, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.