1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester)
TL;DR: 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester) (CAS 25451-70-1) 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-phenylpropyl) N-phenylcarbamate
Also Known As: 2-Phenyl-1,3-propanediol carbamate carbanilate (ester), 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester), (3-carbamoyloxy-2-phenylpropyl) N-phenylcarbamate, 3-(carbamoyloxy)-2-phenylpropyl phenylcarbamate(non-preferred name), RefChem:1053094
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 25451-70-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(COC(=O)N)COC(=O)NC2=CC=CC=C2 |
| InChIKey | IHRYEZVGKKEZJA-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester) (CAS 25451-70-1), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: (3-carbamoyloxy-2-phenylpropyl) N-phenylcarbamate.
Chemical Property Profile of 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester)
Property Insights of 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester). The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester). Following Lipinski's Rule of Five, 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester) 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-phenyl-, carbamate carbanilate (ester)?
The CAS number of 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester) is 25451-70-1.
What is the molecular formula of 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester)?
The molecular formula of 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester) is C17H18N2O4.
What is the molecular weight of 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester)?
The molecular weight of 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester) is 314.13 g/mol.
Where can I buy 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester)?
You can request a quote for 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester) 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-phenyl-, carbamate carbanilate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-phenyl-, carbamate carbanilate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.