CID 107596
TL;DR: CID 107596 (CAS 4813-60-9) is a chemical compound with molecular formula C24H46O4 and molecular weight 398.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl octadec-9-enoate
Also Known As: 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)butyl ester, 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
| Molecular Formula | C24H46O4 |
|---|---|
| Molecular Weight | 398.34 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 398.3396 |
| Heavy Atoms | 28 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 4813-60-9 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(CO)CO |
| InChIKey | WAZOXQOFCQKLFT-UHFFFAOYSA-N |
Product Overview
CID 107596 (CAS 4813-60-9), with molecular formula C24H46O4 and molecular weight 398.34 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl octadec-9-enoate.
Chemical Property Profile of CID 107596
Property Insights of CID 107596
The XLogP value of 7.2 indicates that CID 107596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 107596. Following Lipinski's Rule of Five, CID 107596 has 2 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 CID 107596?
The CAS number of CID 107596 is 4813-60-9.
What is the molecular formula of CID 107596?
The molecular formula of CID 107596 is C24H46O4.
What is the molecular weight of CID 107596?
The molecular weight of CID 107596 is 398.34 g/mol.
Where can I buy CID 107596?
You can request a quote for CID 107596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 107596?
Yes, KEHONG BIO provides custom synthesis services for CID 107596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.