ChemDiv1_010950
TL;DR: ChemDiv1_010950 (CAS 311796-82-4) is a chemical compound with molecular formula C24H25ClO5 and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(6-chloro-1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: ChemDiv1_010950, BAS 00583399, BIM-0021170.P001, A1569/0068420, 9-(6-chloro-1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
| Molecular Formula | C24H25ClO5 |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 5.4689 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 428.13904 |
| Heavy Atoms | 30 |
| Complexity | 1007.59973 |
Chemical Identifiers
| CAS Number | 311796-82-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC5=C(C=C4Cl)OCO5)C(=O)C1)C |
Product Overview
ChemDiv1_010950 (CAS 311796-82-4), with molecular formula C24H25ClO5 and molecular weight 428.14 g/mol. IUPAC: 9-(6-chloro-1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of ChemDiv1_010950
Property Insights of ChemDiv1_010950
The XLogP value of 5.4689 indicates that ChemDiv1_010950 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 ChemDiv1_010950. Following Lipinski's Rule of Five, ChemDiv1_010950 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010950?
The CAS number of ChemDiv1_010950 is 311796-82-4.
What is the molecular formula of ChemDiv1_010950?
The molecular formula of ChemDiv1_010950 is C24H25ClO5.
What is the molecular weight of ChemDiv1_010950?
The molecular weight of ChemDiv1_010950 is 428.14 g/mol.
Where can I buy ChemDiv1_010950?
You can request a quote for ChemDiv1_010950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010950?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.