1,3-Propanediol, 1-phenyl-, 1,3-diacetate
TL;DR: 1,3-Propanediol, 1-phenyl-, 1,3-diacetate (CAS 6270-04-8) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-acetyloxy-3-phenylpropyl) acetate
Also Known As: 3-Phenyl-1,3-propanediol diacetate, 1, 1-phenyl-, diacetate, 1,3-Diacetoxy-1-phenylpropane, 1-Phenyl-1,3-propanediol diacetate, 1-Phenylpropane-1,3-diyl diacetate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.10486 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 Da |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
| SMILES | CC(=O)OCCC(C1=CC=CC=C1)OC(=O)C |
| InChIKey | SBOBOTARPDBQPK-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 1-phenyl-, 1,3-diacetate
Property Insights of 1,3-Propanediol, 1-phenyl-, 1,3-diacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 1-phenyl-, 1,3-diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Propanediol, 1-phenyl-, 1,3-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 1-phenyl-, 1,3-diacetate 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
What is the CAS number of 1,3-Propanediol, 1-phenyl-, 1,3-diacetate?
The CAS number of 1,3-Propanediol, 1-phenyl-, 1,3-diacetate is 6270-04-8.
What is the molecular formula of 1,3-Propanediol, 1-phenyl-, 1,3-diacetate?
The molecular formula of 1,3-Propanediol, 1-phenyl-, 1,3-diacetate is C13H16O4.
What is the molecular weight of 1,3-Propanediol, 1-phenyl-, 1,3-diacetate?
The molecular weight of 1,3-Propanediol, 1-phenyl-, 1,3-diacetate is 236.10486 g/mol.
Where can I buy 1,3-Propanediol, 1-phenyl-, 1,3-diacetate?
You can request a quote for 1,3-Propanediol, 1-phenyl-, 1,3-diacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol, 1-phenyl-, 1,3-diacetate?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 1-phenyl-, 1,3-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.