2,2-Diphenyl-1,3-propanediol dicarbamate
TL;DR: 2,2-Diphenyl-1,3-propanediol dicarbamate (CAS 25451-78-9) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-carbamoyloxy-2,2-diphenylpropyl) carbamate
Also Known As: 1,3-Propanediol, 2,2-diphenyl-, dicarbamate, 2,2-Diphenyl-1,3-propanediol dicarbamate, 2,2-diphenylpropane-1,3-diyl dicarbamate, 1, 2,2-diphenyl-, dicarbamate, (3-carbamoyloxy-2,2-diphenylpropyl) carbamate
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 25451-78-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(COC(=O)N)(COC(=O)N)C2=CC=CC=C2 |
| InChIKey | YAMNETATHGQXBZ-UHFFFAOYSA-N |
Product Overview
2,2-Diphenyl-1,3-propanediol dicarbamate (CAS 25451-78-9), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: (3-carbamoyloxy-2,2-diphenylpropyl) carbamate.
Chemical Property Profile of 2,2-Diphenyl-1,3-propanediol dicarbamate
Property Insights of 2,2-Diphenyl-1,3-propanediol dicarbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diphenyl-1,3-propanediol dicarbamate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Diphenyl-1,3-propanediol dicarbamate. Following Lipinski's Rule of Five, 2,2-Diphenyl-1,3-propanediol dicarbamate 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 2,2-Diphenyl-1,3-propanediol dicarbamate?
The CAS number of 2,2-Diphenyl-1,3-propanediol dicarbamate is 25451-78-9.
What is the molecular formula of 2,2-Diphenyl-1,3-propanediol dicarbamate?
The molecular formula of 2,2-Diphenyl-1,3-propanediol dicarbamate is C17H18N2O4.
What is the molecular weight of 2,2-Diphenyl-1,3-propanediol dicarbamate?
The molecular weight of 2,2-Diphenyl-1,3-propanediol dicarbamate is 314.13 g/mol.
Where can I buy 2,2-Diphenyl-1,3-propanediol dicarbamate?
You can request a quote for 2,2-Diphenyl-1,3-propanediol dicarbamate 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 dicarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diphenyl-1,3-propanediol dicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.