8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-
TL;DR: 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- (CAS 42449-39-8) is a chemical compound with molecular formula C15H13Cl4NO3 and molecular weight 394.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one
Also Known As: 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-, 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one, 8,8-Dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyltetrahydro-5H,7H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one
| Molecular Formula | C15H13Cl4NO3 |
|---|---|
| Molecular Weight | 394.96 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.96497 |
| Heavy Atoms | 23 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 42449-39-8 |
|---|---|
| SMILES | CC1(COC2(N1C(=C(Cl)Cl)OC(=O)C2(Cl)Cl)C3=CC=CC=C3)C |
| InChIKey | FCJLGGHOXKWZGJ-UHFFFAOYSA-N |
Product Overview
8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- (CAS 42449-39-8), with molecular formula C15H13Cl4NO3 and molecular weight 394.96 g/mol. IUPAC: 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-7-one.
Chemical Property Profile of 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-
Property Insights of 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-
The XLogP value of 4.7 indicates that 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- 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 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-?
The CAS number of 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- is 42449-39-8.
What is the molecular formula of 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-?
The molecular formula of 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- is C15H13Cl4NO3.
What is the molecular weight of 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-?
The molecular weight of 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- is 394.96 g/mol.
Where can I buy 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-?
You can request a quote for 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 8,8-dichloro-5-(dichloromethylidene)-3,3-dimethyl-8a-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.