1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate
TL;DR: 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate (CAS 25451-58-5) is a chemical compound with molecular formula C9H19NO3 and molecular weight 189.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2,4-dimethylpentyl] carbamate
Also Known As: 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate, 2-Isobutyl-2-methyl-1,3-propanediol monocarbamate, Carbamicacid2- -2,4-dimethylpentylester, 2-Methyl-2-isobutyl-3-carbamoyloxy-propanol-1, [2-(hydroxymethyl)-2,4-dimethylpentyl] carbamate
| Molecular Formula | C9H19NO3 |
|---|---|
| Molecular Weight | 189.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 189.13649 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 25451-58-5 |
|---|---|
| SMILES | CC(C)CC(C)(CO)COC(=O)N |
| InChIKey | HFRSCQWPRWHTJR-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate (CAS 25451-58-5), with molecular formula C9H19NO3 and molecular weight 189.14 g/mol. IUPAC: [2-(hydroxymethyl)-2,4-dimethylpentyl] carbamate.
Chemical Property Profile of 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate
Property Insights of 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate 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-isobutyl-2-methyl-, carbamate?
The CAS number of 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate is 25451-58-5.
What is the molecular formula of 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate?
The molecular formula of 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate is C9H19NO3.
What is the molecular weight of 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate?
The molecular weight of 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate is 189.14 g/mol.
Where can I buy 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate?
You can request a quote for 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate 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-isobutyl-2-methyl-, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-isobutyl-2-methyl-, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.