9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
TL;DR: 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione (CAS 433957-13-2) is a chemical compound with molecular formula C21H21ClO5 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Also Known As: 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
| Molecular Formula | C21H21ClO5 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.4852 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.10776 |
| Heavy Atoms | 27 |
| Complexity | 854.0782 |
Chemical Identifiers
| CAS Number | 433957-13-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Cl)OC |
Product Overview
9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione (CAS 433957-13-2), with molecular formula C21H21ClO5 and molecular weight 388.11 g/mol. IUPAC: 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Property Insights of 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
The XLogP value of 4.4852 indicates that 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione. Following Lipinski's Rule of Five, 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione has 0 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 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
The CAS number of 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is 433957-13-2.
What is the molecular formula of 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
The molecular formula of 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is C21H21ClO5.
What is the molecular weight of 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
The molecular weight of 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is 388.11 g/mol.
Where can I buy 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
You can request a quote for 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.