Heptanedioic acid, bis(1-methylpropyl) ester
TL;DR: Heptanedioic acid, bis(1-methylpropyl) ester (CAS 57983-34-3) is a chemical compound with molecular formula C15H28O4 and molecular weight 272.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutan-2-yl heptanedioate
Also Known As: Di(sec-butyl) pimelate, dibutan-2-yl heptanedioate, Di(sec-butyl) pimelate #, Heptanedioic acid, bis(1-methylpropyl) ester, 1,7-bis(butan-2-yl) heptanedioate
| Molecular Formula | C15H28O4 |
|---|---|
| Molecular Weight | 272.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 272.19876 |
| Heavy Atoms | 19 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 57983-34-3 |
|---|---|
| SMILES | CCC(C)OC(=O)CCCCCC(=O)OC(C)CC |
| InChIKey | BJWLETOUSPRRSI-UHFFFAOYSA-N |
Product Overview
Heptanedioic acid, bis(1-methylpropyl) ester (CAS 57983-34-3), with molecular formula C15H28O4 and molecular weight 272.20 g/mol. IUPAC: dibutan-2-yl heptanedioate.
Chemical Property Profile of Heptanedioic acid, bis(1-methylpropyl) ester
Property Insights of Heptanedioic acid, bis(1-methylpropyl) ester
The XLogP value of 3.8 indicates that Heptanedioic acid, bis(1-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Heptanedioic acid, bis(1-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanedioic acid, bis(1-methylpropyl) ester 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 Heptanedioic acid, bis(1-methylpropyl) ester?
The CAS number of Heptanedioic acid, bis(1-methylpropyl) ester is 57983-34-3.
What is the molecular formula of Heptanedioic acid, bis(1-methylpropyl) ester?
The molecular formula of Heptanedioic acid, bis(1-methylpropyl) ester is C15H28O4.
What is the molecular weight of Heptanedioic acid, bis(1-methylpropyl) ester?
The molecular weight of Heptanedioic acid, bis(1-methylpropyl) ester is 272.20 g/mol.
Where can I buy Heptanedioic acid, bis(1-methylpropyl) ester?
You can request a quote for Heptanedioic acid, bis(1-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanedioic acid, bis(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanedioic acid, bis(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.