Tafricanin A
TL;DR: Tafricanin A (CAS 82225-40-9) is a chemical compound with molecular formula C22H25ClO8 and molecular weight 452.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,4aS,7R,8R,8aS)-4-(chloromethyl)-5'-(furan-3-yl)-4-hydroxy-7-methyl-2',3,5-trioxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-4a-yl]methyl acetate
Also Known As: Tafricanin A, Spiro(furan-3(2H),1'(2'H)-naphthalene)-2,4',6'(3'H,5'H)-trione,4'a-((acetyloxy)methyl)-5'-(chloromethyl)-5-(3-furanyl)hexahydro-5'-hydroxy-2'-methyl-, (1'R,2'R,4'aR,5S,5'S,8'aS)-, [(1R,2R,4aS,5S,8aS)-5-(Chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxohexahydro-2H-spiro[naphthalene-1,3'-oxolan]-4a(5H)-yl]methyl acetate, [(4S,4aS,7R,8R,8aS)-4-(chloromethyl)-5'-(furan-3-yl)-4-hydroxy-7-methyl-2',3,5-trioxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-4a-yl]methyl acetate, [5-(Chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',4,6-trioxohexahydro-2H-spiro[naphthalene-1,3'-oxolan]-4a(5H)-yl]methyl acetate
| Molecular Formula | C22H25ClO8 |
|---|---|
| Molecular Weight | 452.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.1238 |
| Heavy Atoms | 31 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 82225-40-9 |
|---|---|
| SMILES | C[C@@H]1CC(=O)[C@@]2([C@@H]([C@@]13CC(OC3=O)C4=COC=C4)CCC(=O)[C@@]2(CCl)O)COC(=O)C |
| InChIKey | JPVQRCXHVVLUCP-XIVXINASSA-N |
Product Overview
Tafricanin A (CAS 82225-40-9), with molecular formula C22H25ClO8 and molecular weight 452.12 g/mol. IUPAC: [(4S,4aS,7R,8R,8aS)-4-(chloromethyl)-5'-(furan-3-yl)-4-hydroxy-7-methyl-2',3,5-trioxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-4a-yl]methyl acetate.
Chemical Property Profile of Tafricanin A
Property Insights of Tafricanin A
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tafricanin A. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tafricanin A. Following Lipinski's Rule of Five, Tafricanin A has 1 hydrogen bond donor(s) and 8 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 Tafricanin A?
The CAS number of Tafricanin A is 82225-40-9.
What is the molecular formula of Tafricanin A?
The molecular formula of Tafricanin A is C22H25ClO8.
What is the molecular weight of Tafricanin A?
The molecular weight of Tafricanin A is 452.12 g/mol.
Where can I buy Tafricanin A?
You can request a quote for Tafricanin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tafricanin A?
Yes, KEHONG BIO provides custom synthesis services for Tafricanin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.