壬二酸二异癸酯
TL;DR: 壬二酸二异癸酯 (CAS 28472-97-1) is a chemical compound with molecular formula C29H56O4 and molecular weight 468.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
壬二酸二异癸酯
bis(8-methylnonyl) nonanedioate
Also Known As: Diisodecyl azelate, Nonanedioic acid, diisodecyl ester, Diisodecyl azelaate, Di-isodecylazelate, Azelaic acid, diisodecyl ester
| Molecular Formula | C29H56O4 |
|---|---|
| Molecular Weight | 468.42 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 468.41785 |
| Heavy Atoms | 33 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 28472-97-1 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C |
| InChIKey | WLLCYXDFVBWGBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
壬二酸二异癸酯 (CAS 28472-97-1), with molecular formula C29H56O4 and molecular weight 468.42 g/mol. IUPAC: bis(8-methylnonyl) nonanedioate.
Chemical Property Profile of 壬二酸二异癸酯
Property Insights of 壬二酸二异癸酯
The XLogP value of 10.6 indicates that 壬二酸二异癸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 壬二酸二异癸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 壬二酸二异癸酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 壬二酸二异癸酯?
The CAS number of 壬二酸二异癸酯 is 28472-97-1.
What is the molecular formula of 壬二酸二异癸酯?
The molecular formula of 壬二酸二异癸酯 is C29H56O4.
What is the molecular weight of 壬二酸二异癸酯?
The molecular weight of 壬二酸二异癸酯 is 468.42 g/mol.
Where can I buy 壬二酸二异癸酯?
You can request a quote for 壬二酸二异癸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 壬二酸二异癸酯?
Yes, KEHONG BIO provides custom synthesis services for 壬二酸二异癸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.