9,10-Dichloro-12-(phosphonooxy)octadecanoic acid
TL;DR: 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid (CAS 56744-27-5) is a chemical compound with molecular formula C18H35Cl2O6P and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dichloro-12-phosphonooxyoctadecanoic acid
Also Known As: 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid, 9,10-dichloro-12-phosphonooxyoctadecanoic acid, ethyl 3-(1H-benzimidazol-2-ylsulfanyl)propanoate, Octadecanoic acid,9,10-dichloro-12-(phosphonooxy)-, 2-[2-[2-[4-[2-[4-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
| Molecular Formula | C18H35Cl2O6P |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 448.15485 |
| Heavy Atoms | 27 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 56744-27-5 |
|---|---|
| SMILES | CCCCCCC(CC(C(CCCCCCCC(=O)O)Cl)Cl)OP(=O)(O)O |
| InChIKey | NZTGBAWFQMSCCA-UHFFFAOYSA-N |
Product Overview
9,10-Dichloro-12-(phosphonooxy)octadecanoic acid (CAS 56744-27-5), with molecular formula C18H35Cl2O6P and molecular weight 448.15 g/mol. IUPAC: 9,10-dichloro-12-phosphonooxyoctadecanoic acid.
Chemical Property Profile of 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid
Property Insights of 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid
The XLogP value of 5.3 indicates that 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid. Following Lipinski's Rule of Five, 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid?
The CAS number of 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid is 56744-27-5.
What is the molecular formula of 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid?
The molecular formula of 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid is C18H35Cl2O6P.
What is the molecular weight of 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid?
The molecular weight of 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid is 448.15 g/mol.
Where can I buy 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid?
You can request a quote for 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dichloro-12-(phosphonooxy)octadecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.