Caloflavan A
TL;DR: Caloflavan A (CAS 436849-29-5) is a chemical compound with molecular formula C45H38O13 and molecular weight 786.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dihydroxyphenyl)-[(2R,3R,4R,5S)-5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(S)-(4-hydroxyphenyl)-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl]oxolan-3-yl]methanone
Also Known As: Caloflavan A, (2,4-Dihydroxy-phenyl)-(5-(2,4-dihydroxy-phenyl)-2-(4-hydroxy-phenyl)-4-{(4-hydroxy-phenyl)-[3,5,7-trihydroxy-2-(4-hydroxy-phenyl)-chroman-8-yl]-methyl}-tetrahydro-furan-3-yl)-methanone, (2,4-dihydroxyphenyl)-[(2R,3R,4R,5S)-5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(S)-(4-hydroxyphenyl)-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl]oxolan-3-yl]methanone, methanone, [(2R,3R,4R,5S)-4-[(S)-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl](4-hydroxyphenyl)methyl]-5-(2,4-dihydroxyphenyl)tetrahydro-2-(4-hydroxyphenyl)-3-furanyl, rel-(2,4-dihydroxyphenyl)((2R,3R,4R,5S)-5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-{(S)-(4-hydroxyphenyl)[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl}tetrahydrof
| Molecular Formula | C45H38O13 |
|---|---|
| Molecular Weight | 786.23 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 786.23126 |
| Heavy Atoms | 58 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 436849-29-5 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]([C@@H]3[C@H]([C@@H](O[C@@H]3C4=C(C=C(C=C4)O)O)C5=CC=C(C=C5)O)C(=O)C6=C(C=C(C=C6)O)O)C7=CC=C(C=C7)O)O)O)C8=CC=C(C=C8)O)O |
| InChIKey | HJSXVDZCHBGWGS-LPBQRRJCSA-N |
Product Overview
Caloflavan A (CAS 436849-29-5), with molecular formula C45H38O13 and molecular weight 786.23 g/mol. IUPAC: (2,4-dihydroxyphenyl)-[(2R,3R,4R,5S)-5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(S)-(4-hydroxyphenyl)-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]methyl]oxolan-3-yl]methanone.
Chemical Property Profile of Caloflavan A
Property Insights of Caloflavan A
The XLogP value of 6.2 indicates that Caloflavan A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.0 Ų indicates high polarity, suggesting Caloflavan A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caloflavan A has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caloflavan A?
The CAS number of Caloflavan A is 436849-29-5.
What is the molecular formula of Caloflavan A?
The molecular formula of Caloflavan A is C45H38O13.
What is the molecular weight of Caloflavan A?
The molecular weight of Caloflavan A is 786.23 g/mol.
Where can I buy Caloflavan A?
You can request a quote for Caloflavan A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caloflavan A?
Yes, KEHONG BIO provides custom synthesis services for Caloflavan A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.