1,4-Butanediol, dipropionate
TL;DR: 1,4-Butanediol, dipropionate (CAS 1572-92-5) is a chemical compound with molecular formula CCC(=O)OCCCCOC(=O)CC and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propanoyloxybutyl propanoate
Also Known As: 1,4-Butanediol, dipropionate, 4-propanoyloxybutyl propanoate, Tetramethylendipropionat, 1,4-Butanedioldipropionate, 1,4-BUTANEDIOL DIPROPIONATE
| Molecular Formula | CCC(=O)OCCCCOC(=O)CC |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 1572-92-5 |
|---|---|
| SMILES | CCC(=O)OCCCCOC(=O)CC |
| InChIKey | ADGOOVVFTLKVKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Butanediol, dipropionate (CAS 1572-92-5), with molecular formula CCC(=O)OCCCCOC(=O)CC and molecular weight 202.12 g/mol. IUPAC: 4-propanoyloxybutyl propanoate.
Chemical Property Profile of 1,4-Butanediol, dipropionate
Property Insights of 1,4-Butanediol, dipropionate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanediol, dipropionate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Butanediol, dipropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanediol, dipropionate 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 1,4-Butanediol, dipropionate?
The CAS number of 1,4-Butanediol, dipropionate is 1572-92-5.
What is the molecular formula of 1,4-Butanediol, dipropionate?
The molecular formula of 1,4-Butanediol, dipropionate is CCC(=O)OCCCCOC(=O)CC.
What is the molecular weight of 1,4-Butanediol, dipropionate?
The molecular weight of 1,4-Butanediol, dipropionate is 202.12 g/mol.
Where can I buy 1,4-Butanediol, dipropionate?
You can request a quote for 1,4-Butanediol, dipropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanediol, dipropionate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanediol, dipropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.