2-Phenyl-1,3-propanediol monocarbamate
TL;DR: 2-Phenyl-1,3-propanediol monocarbamate (CAS 25451-53-0) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2-phenylpropyl) carbamate
Also Known As: 3-hydroxy-2-phenylpropyl carbamate, Sch 54388, 2-Phenyl-1,3-propanediol monocarbamate, Hydroxy-2-phenylpropyl Carbamate, (3-hydroxy-2-phenylpropyl) carbamate
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 25451-53-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CO)COC(=O)N |
| InChIKey | JQVQIZWJBLGVRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-1,3-propanediol monocarbamate (CAS 25451-53-0), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: (3-hydroxy-2-phenylpropyl) carbamate.
Chemical Property Profile of 2-Phenyl-1,3-propanediol monocarbamate
Property Insights of 2-Phenyl-1,3-propanediol monocarbamate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1,3-propanediol monocarbamate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-1,3-propanediol monocarbamate. Following Lipinski's Rule of Five, 2-Phenyl-1,3-propanediol monocarbamate 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 2-Phenyl-1,3-propanediol monocarbamate?
The CAS number of 2-Phenyl-1,3-propanediol monocarbamate is 25451-53-0.
What is the molecular formula of 2-Phenyl-1,3-propanediol monocarbamate?
The molecular formula of 2-Phenyl-1,3-propanediol monocarbamate is C10H13NO3.
What is the molecular weight of 2-Phenyl-1,3-propanediol monocarbamate?
The molecular weight of 2-Phenyl-1,3-propanediol monocarbamate is 195.09 g/mol.
Where can I buy 2-Phenyl-1,3-propanediol monocarbamate?
You can request a quote for 2-Phenyl-1,3-propanediol monocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1,3-propanediol monocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,3-propanediol monocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.