(5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl
TL;DR: (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl (CAS 94323-92-9) is a chemical compound with molecular formula C11H13Cl2NO4 and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl-6H-cyclopenta[c]pyrrole-1,3-dione
Also Known As: (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl, 3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl-6H-cyclopenta[c]pyrrole-1,3-dione
| Molecular Formula | C11H13Cl2NO4 |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.02216 |
| Heavy Atoms | 18 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 94323-92-9 |
|---|---|
| SMILES | CC12CC(=CCl)C(C1(C(=O)NC2=O)Cl)(OC)OC |
| InChIKey | UKPABRCOIMKTFW-UHFFFAOYSA-N |
Product Overview
(5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl (CAS 94323-92-9), with molecular formula C11H13Cl2NO4 and molecular weight 293.02 g/mol. IUPAC: 3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl-6H-cyclopenta[c]pyrrole-1,3-dione.
Chemical Property Profile of (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl
Property Insights of (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl. Following Lipinski's Rule of Five, (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl has 1 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 (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl?
The CAS number of (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl is 94323-92-9.
What is the molecular formula of (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl?
The molecular formula of (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl is C11H13Cl2NO4.
What is the molecular weight of (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl?
The molecular weight of (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl is 293.02 g/mol.
Where can I buy (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl?
You can request a quote for (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl?
Yes, KEHONG BIO provides custom synthesis services for (5E)-3a-chloro-5-(chloromethylidene)-4,4-dimethoxy-6a-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.