3-Hydroxy-3-phenylpentane-2-carbamate
TL;DR: 3-Hydroxy-3-phenylpentane-2-carbamate (CAS 5586-62-9) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-3-phenylpentan-2-yl) carbamate
Also Known As: 3-HYDROXY-3-PHENYLPENTANE-2-CARBAMATE, (3-hydroxy-3-phenylpentan-2-yl) carbamate, 2,3-Pentanediol, 3-phenyl-, 2-carbamate, 3-hydroxy-3-phenylpentan-2-yl carbamate, Carbamic acid, beta-ethyl-beta-hydroxy-alpha-methylphenethyl ester
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 5586-62-9 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)(C(C)OC(=O)N)O |
| InChIKey | VJCSPNRFSSSXEP-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-3-phenylpentane-2-carbamate (CAS 5586-62-9), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: (3-hydroxy-3-phenylpentan-2-yl) carbamate.
Chemical Property Profile of 3-Hydroxy-3-phenylpentane-2-carbamate
Property Insights of 3-Hydroxy-3-phenylpentane-2-carbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3-phenylpentane-2-carbamate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-3-phenylpentane-2-carbamate. Following Lipinski's Rule of Five, 3-Hydroxy-3-phenylpentane-2-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 3-Hydroxy-3-phenylpentane-2-carbamate?
The CAS number of 3-Hydroxy-3-phenylpentane-2-carbamate is 5586-62-9.
What is the molecular formula of 3-Hydroxy-3-phenylpentane-2-carbamate?
The molecular formula of 3-Hydroxy-3-phenylpentane-2-carbamate is C12H17NO3.
What is the molecular weight of 3-Hydroxy-3-phenylpentane-2-carbamate?
The molecular weight of 3-Hydroxy-3-phenylpentane-2-carbamate is 223.12 g/mol.
Where can I buy 3-Hydroxy-3-phenylpentane-2-carbamate?
You can request a quote for 3-Hydroxy-3-phenylpentane-2-carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3-phenylpentane-2-carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-phenylpentane-2-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.