Jci 3661
TL;DR: Jci 3661 (CAS 98695-80-8) is a chemical compound with molecular formula C28H30O5 and molecular weight 446.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-[(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: Jci 3661, 3,3'-[(4-methoxyphenyl)methanediyl]bis[2-hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-one], 2-hydroxy-3-[(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one, alpha,alpha-Bis(2-hydroxy-6-isopropyltropon-3-yl)-4-methoxytoluene, 2,4,6-Cycloheptatrien-1-one, 3,3'-((4-methoxyphenyl)methylene)bis(2-hydroxy-6-(1-methylethyl)-
| Molecular Formula | C28H30O5 |
|---|---|
| Molecular Weight | 446.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.20932 |
| Heavy Atoms | 33 |
| Complexity | 908.0 |
Chemical Identifiers
| CAS Number | 98695-80-8 |
|---|---|
| SMILES | CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C(=O)C=C(C=C3)C(C)C)O)O |
| InChIKey | KJBKAXSFVVQFNC-UHFFFAOYSA-N |
Product Overview
Jci 3661 (CAS 98695-80-8), with molecular formula C28H30O5 and molecular weight 446.21 g/mol. IUPAC: 2-hydroxy-3-[(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of Jci 3661
Property Insights of Jci 3661
The XLogP value of 4.8 indicates that Jci 3661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Jci 3661. Following Lipinski's Rule of Five, Jci 3661 has 2 hydrogen bond donor(s) and 5 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 Jci 3661?
The CAS number of Jci 3661 is 98695-80-8.
What is the molecular formula of Jci 3661?
The molecular formula of Jci 3661 is C28H30O5.
What is the molecular weight of Jci 3661?
The molecular weight of Jci 3661 is 446.21 g/mol.
Where can I buy Jci 3661?
You can request a quote for Jci 3661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jci 3661?
Yes, KEHONG BIO provides custom synthesis services for Jci 3661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.