2,2-Diphenyl-1,3-propanediol methylcarbamate
TL;DR: 2,2-Diphenyl-1,3-propanediol methylcarbamate (CAS 25384-56-9) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2,2-diphenylpropyl) N-methylcarbamate
Also Known As: 2,2-Diphenyl-1,3-propanediol methylcarbamate, 3-hydroxy-2,2-diphenylpropyl methylcarbamate, 1,3-Propanediol, 2,2-diphenyl-, methylcarbamate, 3-Hydroxy-2,2-diphenylpropyl=N-methylcarbamate, (3-hydroxy-2,2-diphenylpropyl) N-methylcarbamate
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 25384-56-9 |
|---|---|
| SMILES | CNC(=O)OCC(CO)(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | NSFWQVLIKNSZQT-UHFFFAOYSA-N |
Product Overview
2,2-Diphenyl-1,3-propanediol methylcarbamate (CAS 25384-56-9), with molecular formula C17H19NO3 and molecular weight 285.14 g/mol. IUPAC: (3-hydroxy-2,2-diphenylpropyl) N-methylcarbamate.
Chemical Property Profile of 2,2-Diphenyl-1,3-propanediol methylcarbamate
Property Insights of 2,2-Diphenyl-1,3-propanediol methylcarbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diphenyl-1,3-propanediol methylcarbamate. With a topological polar surface area (TPSA) of 58.6 Ų, 2,2-Diphenyl-1,3-propanediol methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diphenyl-1,3-propanediol methylcarbamate 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 2,2-Diphenyl-1,3-propanediol methylcarbamate?
The CAS number of 2,2-Diphenyl-1,3-propanediol methylcarbamate is 25384-56-9.
What is the molecular formula of 2,2-Diphenyl-1,3-propanediol methylcarbamate?
The molecular formula of 2,2-Diphenyl-1,3-propanediol methylcarbamate is C17H19NO3.
What is the molecular weight of 2,2-Diphenyl-1,3-propanediol methylcarbamate?
The molecular weight of 2,2-Diphenyl-1,3-propanediol methylcarbamate is 285.14 g/mol.
Where can I buy 2,2-Diphenyl-1,3-propanediol methylcarbamate?
You can request a quote for 2,2-Diphenyl-1,3-propanediol methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diphenyl-1,3-propanediol methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diphenyl-1,3-propanediol methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.