8R-0807
TL;DR: 8R-0807 (CAS 439112-25-1) is a chemical compound with molecular formula C22H17Cl2N3O4 and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-2-[(2,6-dichlorophenyl)methyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one
Also Known As: 8R-0807, 5-(1,3-benzodioxol-5-yl)-2-(2,6-dichlorobenzyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-cyclohexen-1-one, 5-(1,3-benzodioxol-5-yl)-2-[(2,6-dichlorophenyl)methyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one, 5-(2H-1,3-benzodioxol-5-yl)-2-[(2,6-dichlorophenyl)methyl]-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)cyclohex-2-en-1-one
| Molecular Formula | C22H17Cl2N3O4 |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 4.6661 |
| Topological Polar Surface Area | 86.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.0596 |
| Heavy Atoms | 31 |
| Complexity | 1173.2217 |
Chemical Identifiers
| CAS Number | 439112-25-1 |
|---|---|
| SMILES | C1C(C(C(=C(C1=O)CC2=C(C=CC=C2Cl)Cl)O)N3C=NC=N3)C4=CC5=C(C=C4)OCO5 |
Product Overview
8R-0807 (CAS 439112-25-1), with molecular formula C22H17Cl2N3O4 and molecular weight 457.06 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-2-[(2,6-dichlorophenyl)methyl]-3-hydroxy-4-(1,2,4-triazol-1-yl)cyclohex-2-en-1-one.
Chemical Property Profile of 8R-0807
Property Insights of 8R-0807
The XLogP value of 4.6661 indicates that 8R-0807 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 8R-0807. Following Lipinski's Rule of Five, 8R-0807 has 1 hydrogen bond donor(s) and 6 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 8R-0807?
The CAS number of 8R-0807 is 439112-25-1.
What is the molecular formula of 8R-0807?
The molecular formula of 8R-0807 is C22H17Cl2N3O4.
What is the molecular weight of 8R-0807?
The molecular weight of 8R-0807 is 457.06 g/mol.
Where can I buy 8R-0807?
You can request a quote for 8R-0807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8R-0807?
Yes, KEHONG BIO provides custom synthesis services for 8R-0807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.