1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate
TL;DR: 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate (CAS 25451-76-7) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-carbamoyloxy-2-methyl-2-phenylpropyl) N-phenylcarbamate
Also Known As: 2-Methyl-2-phenyl-1,3-propanediol carbamate phenylcarbamate, 3-(carbamoyloxy)-2-methyl-2-phenylpropyl phenylcarbamate, 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate, N,2-Diphenyl-2-methyl-1,3-di-carbamoyloxy-propan, (3-carbamoyloxy-2-methyl-2-phenylpropyl) N-phenylcarbamate
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 25451-76-7 |
|---|---|
| SMILES | CC(COC(=O)N)(COC(=O)NC1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | KHYQRBMKDBGYKN-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate (CAS 25451-76-7), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: (3-carbamoyloxy-2-methyl-2-phenylpropyl) N-phenylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate
Property Insights of 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate
The XLogP value of 3.1 indicates that 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate has 2 hydrogen bond donor(s) and 4 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-phenyl-, carbamate, phenylcarbamate?
The CAS number of 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate is 25451-76-7.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate?
The molecular formula of 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate is C18H20N2O4.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate?
The molecular weight of 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate is 328.14 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate?
You can request a quote for 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate 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-phenyl-, carbamate, phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-phenyl-, carbamate, phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.