Dibenzyl 4-acetylheptanedioate
TL;DR: Dibenzyl 4-acetylheptanedioate (CAS 69638-12-6) is a chemical compound with molecular formula C23H26O5 and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl 4-acetylheptanedioate
Also Known As: dibenzyl 4-acetylheptanedioate
| Molecular Formula | C23H26O5 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.178 |
| Heavy Atoms | 28 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 69638-12-6 |
|---|---|
| SMILES | CC(=O)C(CCC(=O)OCC1=CC=CC=C1)CCC(=O)OCC2=CC=CC=C2 |
| InChIKey | DKKNMXWTCOOFCK-UHFFFAOYSA-N |
Product Overview
Dibenzyl 4-acetylheptanedioate (CAS 69638-12-6), with molecular formula C23H26O5 and molecular weight 382.18 g/mol. IUPAC: dibenzyl 4-acetylheptanedioate.
Chemical Property Profile of Dibenzyl 4-acetylheptanedioate
Property Insights of Dibenzyl 4-acetylheptanedioate
The XLogP value of 3.3 indicates that Dibenzyl 4-acetylheptanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzyl 4-acetylheptanedioate. Following Lipinski's Rule of Five, Dibenzyl 4-acetylheptanedioate has 0 hydrogen bond donor(s) and 5 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 Dibenzyl 4-acetylheptanedioate?
The CAS number of Dibenzyl 4-acetylheptanedioate is 69638-12-6.
What is the molecular formula of Dibenzyl 4-acetylheptanedioate?
The molecular formula of Dibenzyl 4-acetylheptanedioate is C23H26O5.
What is the molecular weight of Dibenzyl 4-acetylheptanedioate?
The molecular weight of Dibenzyl 4-acetylheptanedioate is 382.18 g/mol.
Where can I buy Dibenzyl 4-acetylheptanedioate?
You can request a quote for Dibenzyl 4-acetylheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl 4-acetylheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl 4-acetylheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.