丁二酸二苄酯
TL;DR: 丁二酸二苄酯 (CAS 103-43-5) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二酸二苄酯
dibenzyl butanedioate
Also Known As: DIBENZYL SUCCINATE, dibenzyl butanedioate, Benzyl succinate, Spasmine, Dibenzylsuccinate
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 103-43-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCC(=O)OCC2=CC=CC=C2 |
| InChIKey | ODBOBZHTGBGYCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁二酸二苄酯 (CAS 103-43-5), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: dibenzyl butanedioate.
Chemical Property Profile of 丁二酸二苄酯
Property Insights of 丁二酸二苄酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁二酸二苄酯. With a topological polar surface area (TPSA) of 52.6 Ų, 丁二酸二苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁二酸二苄酯 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 丁二酸二苄酯?
The CAS number of 丁二酸二苄酯 is 103-43-5.
What is the molecular formula of 丁二酸二苄酯?
The molecular formula of 丁二酸二苄酯 is C18H18O4.
What is the molecular weight of 丁二酸二苄酯?
The molecular weight of 丁二酸二苄酯 is 298.12 g/mol.
Where can I buy 丁二酸二苄酯?
You can request a quote for 丁二酸二苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁二酸二苄酯?
Yes, KEHONG BIO provides custom synthesis services for 丁二酸二苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.