1,3-Propanediol, 1-phenyl-, 1,3-diformate
TL;DR: 1,3-Propanediol, 1-phenyl-, 1,3-diformate (CAS 41287-65-4) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formyloxy-3-phenylpropyl) formate
Also Known As: 1-Phenylpropane-1,3-diyl diformate, 1-Phenyl-1,3-propanediol diformate, 1,3-Propanediol, 1-phenyl-, diformate, (3-formyloxy-3-phenylpropyl) formate, 1,3-Propanediol, 1-phenyl-, 1,3-diformate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 41287-65-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCOC=O)OC=O |
| InChIKey | RDCASYVPNQBLPI-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 1-phenyl-, 1,3-diformate (CAS 41287-65-4), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: (3-formyloxy-3-phenylpropyl) formate.
Chemical Property Profile of 1,3-Propanediol, 1-phenyl-, 1,3-diformate
Property Insights of 1,3-Propanediol, 1-phenyl-, 1,3-diformate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 1-phenyl-, 1,3-diformate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Propanediol, 1-phenyl-, 1,3-diformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 1-phenyl-, 1,3-diformate has 0 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, 1-phenyl-, 1,3-diformate?
The CAS number of 1,3-Propanediol, 1-phenyl-, 1,3-diformate is 41287-65-4.
What is the molecular formula of 1,3-Propanediol, 1-phenyl-, 1,3-diformate?
The molecular formula of 1,3-Propanediol, 1-phenyl-, 1,3-diformate is C11H12O4.
What is the molecular weight of 1,3-Propanediol, 1-phenyl-, 1,3-diformate?
The molecular weight of 1,3-Propanediol, 1-phenyl-, 1,3-diformate is 208.07 g/mol.
Where can I buy 1,3-Propanediol, 1-phenyl-, 1,3-diformate?
You can request a quote for 1,3-Propanediol, 1-phenyl-, 1,3-diformate 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, 1-phenyl-, 1,3-diformate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 1-phenyl-, 1,3-diformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.