1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate
TL;DR: 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate (CAS 25384-43-4) is a chemical compound with molecular formula C15H21NO5 and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(hydroxymethyl)-2-methylpentoxy]carbonylamino]benzoic acid
Also Known As: 2-Methyl-2-propyl-1,3-propanediol p-carboxyphenylcarbamate, 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate, 4-[2-2-methylpentyloxycarbonylamino]benzoicacid, 4-[({[2-(hydroxymethyl)-2-methylpentyl]oxy}carbonyl)amino]benzoic acid, 4-[2- -2-methylpentyloxycarbonylamino]benzoicacid
| Molecular Formula | C15H21NO5 |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.14197 |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 25384-43-4 |
|---|---|
| SMILES | CCCC(C)(CO)COC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | GBHPLASTJYCUFJ-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate (CAS 25384-43-4), with molecular formula C15H21NO5 and molecular weight 295.14 g/mol. IUPAC: 4-[[2-(hydroxymethyl)-2-methylpentoxy]carbonylamino]benzoic acid.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate
Property Insights of 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate has 3 hydrogen bond donor(s) and 5 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-methyl-2-propyl-, p-carboxyphenylcarbamate?
The CAS number of 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate is 25384-43-4.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate?
The molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate is C15H21NO5.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate?
The molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate is 295.14 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate?
You can request a quote for 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate 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-methyl-2-propyl-, p-carboxyphenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-propyl-, p-carboxyphenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.