2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester)
TL;DR: 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester) (CAS 30197-78-5) is a chemical compound with molecular formula C13H22N2O4 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4-dimethyl-2-(prop-2-ynylcarbamoyloxymethyl)pentyl]carbamic acid
Also Known As: 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester), Carbamic acid, 2-propynyl-, 2-(hydroxymethyl)-2,4-dimethylpentyl ester, carbamate (ester), (2,4-dimethyl-2-{[(prop-2-yn-1-ylcarbamoyl)oxy]methyl}pentyl)carbamic acid, [2,4-dimethyl-2-(prop-2-ynylcarbamoyloxymethyl)pentyl]carbamic acid, [2-({Hydroxy[(prop-2-yn-1-yl)imino]methoxy}methyl)-2,4-dimethylpentyl]carbamic acid
| Molecular Formula | C13H22N2O4 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.15796 |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 30197-78-5 |
|---|---|
| SMILES | CC(C)CC(C)(CNC(=O)O)COC(=O)NCC#C |
| InChIKey | HXTFJGSIQKHAAU-UHFFFAOYSA-N |
Product Overview
2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester) (CAS 30197-78-5), with molecular formula C13H22N2O4 and molecular weight 270.16 g/mol. IUPAC: [2,4-dimethyl-2-(prop-2-ynylcarbamoyloxymethyl)pentyl]carbamic acid.
Chemical Property Profile of 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester)
Property Insights of 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester). The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester). Following Lipinski's Rule of Five, 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester) 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 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester)?
The CAS number of 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester) is 30197-78-5.
What is the molecular formula of 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester)?
The molecular formula of 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester) is C13H22N2O4.
What is the molecular weight of 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester)?
The molecular weight of 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester) is 270.16 g/mol.
Where can I buy 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester)?
You can request a quote for 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Propynylcarbamic acid 2-(hydroxymethyl)-2,4-dimethylpentyl ester carbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.