1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate
TL;DR: 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate (CAS 24026-76-4) is a chemical compound with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-3-hydroxy-2,2-dimethylpropyl] carbamate
Also Known As: 1-(p-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate, 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate, 1,3-Propanediol, 1-(4-chlorophenyl)-2,2-dimethyl-, 3-carbamate, 3-(4-Chlorophenyl)-3-hydroxy-2,2-dimethylpropyl carbamate, [3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-propyl] Carbamate
| Molecular Formula | C12H16ClNO3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 2.4949 |
| Topological Polar Surface Area | 72.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.08188 |
| Heavy Atoms | 17 |
| Complexity | 389.24216 |
Chemical Identifiers
| CAS Number | 24026-76-4 |
|---|---|
| SMILES | CC(C)(COC(=O)N)C(C1=CC=C(C=C1)Cl)O |
Product Overview
1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate (CAS 24026-76-4), with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol. IUPAC: [3-(4-chlorophenyl)-3-hydroxy-2,2-dimethylpropyl] carbamate.
Chemical Property Profile of 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate
Property Insights of 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate
The XLogP value of 2.4949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate. The TPSA of 72.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-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-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate?
The CAS number of 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate is 24026-76-4.
What is the molecular formula of 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate?
The molecular formula of 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate is C12H16ClNO3.
What is the molecular weight of 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate?
The molecular weight of 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate is 257.08 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate?
You can request a quote for 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.