丁二酸庚基苄酯
TL;DR: 丁二酸庚基苄酯 (CAS 119450-15-6) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二酸庚基苄酯
4-O-benzyl 1-O-heptyl butanedioate
Also Known As: Heptyl benzyl succinate, Benzyl heptyl butanedioate, 1-Benzyl 4-heptyl succinate, Butanedioic acid, heptyl phenylmethyl ester, 1-Benzyl 4-heptyl succinate #
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 119450-15-6 |
|---|---|
| SMILES | CCCCCCCOC(=O)CCC(=O)OCC1=CC=CC=C1 |
| InChIKey | FUJUROXWLMHXBQ-UHFFFAOYSA-N |
Product Overview
丁二酸庚基苄酯 (CAS 119450-15-6), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: 4-O-benzyl 1-O-heptyl butanedioate.
Chemical Property Profile of 丁二酸庚基苄酯
Property Insights of 丁二酸庚基苄酯
The XLogP value of 4.2 indicates that 丁二酸庚基苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 丁二酸庚基苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁二酸庚基苄酯 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 丁二酸庚基苄酯?
The CAS number of 丁二酸庚基苄酯 is 119450-15-6.
What is the molecular formula of 丁二酸庚基苄酯?
The molecular formula of 丁二酸庚基苄酯 is C18H26O4.
What is the molecular weight of 丁二酸庚基苄酯?
The molecular weight of 丁二酸庚基苄酯 is 306.18 g/mol.
Where can I buy 丁二酸庚基苄酯?
You can request a quote for 丁二酸庚基苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁二酸庚基苄酯?
Yes, KEHONG BIO provides custom synthesis services for 丁二酸庚基苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.