1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate
TL;DR: 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate (CAS 25384-49-0) is a chemical compound with molecular formula C12H21NO3 and molecular weight 227.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2,3-dimethylpentyl] N-prop-2-ynylcarbamate
Also Known As: 2-sec-Butyl-2-methyl-1,3-propanediol 2-propynylcarbamate, 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate, 2-(hydroxymethyl)-2,3-dimethylpentyl prop-2-yn-1-ylcarbamate, 2-(Hydroxymethyl)-2,3-dimethylpentyl=2-propynylcarbamate, [2-(hydroxymethyl)-2,3-dimethylpentyl] N-prop-2-ynylcarbamate
| Molecular Formula | C12H21NO3 |
|---|---|
| Molecular Weight | 227.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 227.15215 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 25384-49-0 |
|---|---|
| SMILES | CCC(C)C(C)(CO)COC(=O)NCC#C |
| InChIKey | MHUKGVQDAKFWOK-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate (CAS 25384-49-0), with molecular formula C12H21NO3 and molecular weight 227.15 g/mol. IUPAC: [2-(hydroxymethyl)-2,3-dimethylpentyl] N-prop-2-ynylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate
Property Insights of 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate. With a topological polar surface area (TPSA) of 58.6 Ų, 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate has 2 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 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate?
The CAS number of 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate is 25384-49-0.
What is the molecular formula of 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate?
The molecular formula of 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate is C12H21NO3.
What is the molecular weight of 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate?
The molecular weight of 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate is 227.15 g/mol.
Where can I buy 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate?
You can request a quote for 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-sec-butyl-2-methyl-, 2-propynylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.