RefChem:119673
TL;DR: RefChem:119673 (CAS 72275-99-1) is a chemical compound with molecular formula C25H36Cl6O4 and molecular weight 610.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-methylheptyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: 2,3-Dicarboisooctoxy-1,4,5,6,7,7-hexachlorobicyclo(2.2.1)heptene, Diisooctyl 1,4,5,6,7,7-hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, diisooctyl ester, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-diisooctyl ester, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, diisooctyl ester
| Molecular Formula | C25H36Cl6O4 |
|---|---|
| Molecular Weight | 610.07 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 610.07446 |
| Heavy Atoms | 35 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 72275-99-1 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCCCCCC(C)C |
| InChIKey | PPPFEHOBEANLBD-UHFFFAOYSA-N |
Product Overview
RefChem:119673 (CAS 72275-99-1), with molecular formula C25H36Cl6O4 and molecular weight 610.07 g/mol. IUPAC: bis(6-methylheptyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of RefChem:119673
Property Insights of RefChem:119673
The XLogP value of 9.0 indicates that RefChem:119673 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:119673 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:119673 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 RefChem:119673?
The CAS number of RefChem:119673 is 72275-99-1.
What is the molecular formula of RefChem:119673?
The molecular formula of RefChem:119673 is C25H36Cl6O4.
What is the molecular weight of RefChem:119673?
The molecular weight of RefChem:119673 is 610.07 g/mol.
Where can I buy RefChem:119673?
You can request a quote for RefChem:119673 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:119673?
Yes, KEHONG BIO provides custom synthesis services for RefChem:119673 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.