Chlorendate dimethyl
TL;DR: Chlorendate dimethyl (CAS 21053-98-5) is a chemical compound with molecular formula C11H8Cl6O4 and molecular weight 413.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: Chlorendate dimethyl, Dimethyl chlorendate, Dimethyl hexachloroendomethylenetetrahydrophthalate, Dimethyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, Dimethyl 1,4,5,6,7,7-hexachlorobicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
| Molecular Formula | C11H8Cl6O4 |
|---|---|
| Molecular Weight | 413.86 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.85538 |
| Heavy Atoms | 21 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 21053-98-5 |
|---|---|
| SMILES | COC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OC |
| InChIKey | MDHHRPHYYRMIPH-UHFFFAOYSA-N |
Product Overview
Chlorendate dimethyl (CAS 21053-98-5), with molecular formula C11H8Cl6O4 and molecular weight 413.86 g/mol. IUPAC: dimethyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of Chlorendate dimethyl
Property Insights of Chlorendate dimethyl
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorendate dimethyl. With a topological polar surface area (TPSA) of 52.6 Ų, Chlorendate dimethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorendate dimethyl has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chlorendate dimethyl?
The CAS number of Chlorendate dimethyl is 21053-98-5.
What is the molecular formula of Chlorendate dimethyl?
The molecular formula of Chlorendate dimethyl is C11H8Cl6O4.
What is the molecular weight of Chlorendate dimethyl?
The molecular weight of Chlorendate dimethyl is 413.86 g/mol.
Where can I buy Chlorendate dimethyl?
You can request a quote for Chlorendate dimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorendate dimethyl?
Yes, KEHONG BIO provides custom synthesis services for Chlorendate dimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.