NCI60_040369
TL;DR: NCI60_040369 (CAS 246149-81-5) is a chemical compound with molecular formula C18H9Cl9O6 and molecular weight 635.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[1-[3-(carboxymethoxy)-2,4,6-trichlorophenyl]-2,2,2-trichloroethyl]-2,4,6-trichlorophenoxy]acetic acid
Also Known As: NCI60_040369, J1.211.488E, 2,2 -[2,2,2-Trichloroethylidenebis(2,4,6-trichloro-3,1-phenyleneoxy)]bisacetic acid, 2,2'-[2,2,2-Trichloroethylidenebis(2,4,6-trichloro-3,1-phenyleneoxy)]bisacetic acid, 2,2'-{(2,2,2-Trichloroethane-1,1-diyl)bis[(2,4,6-trichloro-3,1-phenylene)oxy]}diacetic acid
| Molecular Formula | C18H9Cl9O6 |
|---|---|
| Molecular Weight | 635.76 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 635.7596 |
| Heavy Atoms | 33 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 246149-81-5 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)OCC(=O)O)Cl)C(C2=C(C(=C(C=C2Cl)Cl)OCC(=O)O)Cl)C(Cl)(Cl)Cl)Cl |
| InChIKey | HRGNUJICNHWJBA-UHFFFAOYSA-N |
Product Overview
NCI60_040369 (CAS 246149-81-5), with molecular formula C18H9Cl9O6 and molecular weight 635.76 g/mol. IUPAC: 2-[3-[1-[3-(carboxymethoxy)-2,4,6-trichlorophenyl]-2,2,2-trichloroethyl]-2,4,6-trichlorophenoxy]acetic acid.
Chemical Property Profile of NCI60_040369
Property Insights of NCI60_040369
The XLogP value of 8.4 indicates that NCI60_040369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_040369. Following Lipinski's Rule of Five, NCI60_040369 has 2 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 NCI60_040369?
The CAS number of NCI60_040369 is 246149-81-5.
What is the molecular formula of NCI60_040369?
The molecular formula of NCI60_040369 is C18H9Cl9O6.
What is the molecular weight of NCI60_040369?
The molecular weight of NCI60_040369 is 635.76 g/mol.
Where can I buy NCI60_040369?
You can request a quote for NCI60_040369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_040369?
Yes, KEHONG BIO provides custom synthesis services for NCI60_040369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.