ChemDiv1_011621
TL;DR: ChemDiv1_011621 (CAS 5801-91-2) is a chemical compound with molecular formula C32H33ClO7 and molecular weight 564.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: ChemDiv1_011621, BIM-0017225.P001, 9-{4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, A1973/0082988, 9-[4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
| Molecular Formula | C32H33ClO7 |
|---|---|
| Molecular Weight | 564.19 g/mol |
| LogP | 7.0565 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 564.19147 |
| Heavy Atoms | 40 |
| Complexity | 1444.8219 |
Chemical Identifiers
| CAS Number | 5801-91-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=CC6=C(C=C5Cl)OCO6)OC)C(=O)C1)C |
Product Overview
ChemDiv1_011621 (CAS 5801-91-2), with molecular formula C32H33ClO7 and molecular weight 564.19 g/mol. IUPAC: 9-[4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of ChemDiv1_011621
Property Insights of ChemDiv1_011621
The XLogP value of 7.0565 indicates that ChemDiv1_011621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011621. Following Lipinski's Rule of Five, ChemDiv1_011621 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_011621?
The CAS number of ChemDiv1_011621 is 5801-91-2.
What is the molecular formula of ChemDiv1_011621?
The molecular formula of ChemDiv1_011621 is C32H33ClO7.
What is the molecular weight of ChemDiv1_011621?
The molecular weight of ChemDiv1_011621 is 564.19 g/mol.
Where can I buy ChemDiv1_011621?
You can request a quote for ChemDiv1_011621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011621?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.