Repin
TL;DR: Repin (CAS 11024-67-2) is a chemical compound with molecular formula C19H22O7 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,6aR,8R,9S,9aR,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2S)-2-methyloxirane-2-carboxylate
Also Known As: Repin, [(3aR,4S,6aR,8R,9S,9aR,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2S)-2-methyloxirane-2-carboxylate, (3ar,4s,6ar,8r,9s,9ar,9br)-8-hydroxy-3,6-dimethylidene-2-oxodecahydro-2h-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl(2s)-2-methyloxirane-2-carboxylate, Oxiranecarboxylic acid, 2-methyl-, decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro(azuleno(4,5-b)furan-9(2H),2'-oxiran)-4-yl ester, (3aR-(3aalpha,4alpha(S*),6aalpha,8beta,9alpha,9aalpha,9bbeta))-, ((3aR,4S,6aR,8R,9S,9aR,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro(3a,4,5,6a,7,8,9a,9b-octahydroazuleno(4,5-b)furan-9,2'-oxirane)-4-yl) (2S)-2-methyloxirane-2-carboxylate
| Molecular Formula | C19H22O7 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.13657 |
| Heavy Atoms | 26 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 11024-67-2 |
|---|---|
| SMILES | C[C@]1(CO1)C(=O)O[C@H]2CC(=C)[C@@H]3C[C@H]([C@]4([C@H]3[C@H]5[C@@H]2C(=C)C(=O)O5)CO4)O |
| InChIKey | HQZJODBJOBTCPI-VHCPEVEQSA-N |
Product Overview
Repin (CAS 11024-67-2), with molecular formula C19H22O7 and molecular weight 362.14 g/mol. IUPAC: [(3aR,4S,6aR,8R,9S,9aR,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2S)-2-methyloxirane-2-carboxylate.
Chemical Property Profile of Repin
Property Insights of Repin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Repin. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Repin. Following Lipinski's Rule of Five, Repin has 1 hydrogen bond donor(s) and 7 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 Repin?
The CAS number of Repin is 11024-67-2.
What is the molecular formula of Repin?
The molecular formula of Repin is C19H22O7.
What is the molecular weight of Repin?
The molecular weight of Repin is 362.14 g/mol.
Where can I buy Repin?
You can request a quote for Repin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Repin?
Yes, KEHONG BIO provides custom synthesis services for Repin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.