CHALCOMORACIN
TL;DR: CHALCOMORACIN (CAS 76472-89-4) is a chemical compound with molecular formula C39H36O9 and molecular weight 648.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
Also Known As: CHALCOMORACIN, [2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone, (+)-[2-[2,6-Dihydroxy-4-(6-hydroxybenzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanone, -[2-[2,6-Dihydroxy-4- phenyl]-6- -4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3- phenyl]methanone, [2-[2,6-dihydroxy-4-(6-hydroxy-1-benzouran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
| Molecular Formula | C39H36O9 |
|---|---|
| Molecular Weight | 648.24 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 648.23596 |
| Heavy Atoms | 48 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 76472-89-4 |
|---|---|
| SMILES | CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C(=C(C=C3)O)CC=C(C)C)O)C4=C(C=C(C=C4O)C5=CC6=C(O5)C=C(C=C6)O)O |
| InChIKey | SEHVRKPXIDOTRX-UHFFFAOYSA-N |
Product Overview
CHALCOMORACIN (CAS 76472-89-4), with molecular formula C39H36O9 and molecular weight 648.24 g/mol. IUPAC: [2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone.
Chemical Property Profile of CHALCOMORACIN
Property Insights of CHALCOMORACIN
The XLogP value of 7.9 indicates that CHALCOMORACIN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting CHALCOMORACIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CHALCOMORACIN has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CHALCOMORACIN?
The CAS number of CHALCOMORACIN is 76472-89-4.
What is the molecular formula of CHALCOMORACIN?
The molecular formula of CHALCOMORACIN is C39H36O9.
What is the molecular weight of CHALCOMORACIN?
The molecular weight of CHALCOMORACIN is 648.24 g/mol.
Where can I buy CHALCOMORACIN?
You can request a quote for CHALCOMORACIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CHALCOMORACIN?
Yes, KEHONG BIO provides custom synthesis services for CHALCOMORACIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.