Cryptoporic acid B
TL;DR: Cryptoporic acid B (CAS 113592-88-4) is a chemical compound with molecular formula C23H36O8 and molecular weight 440.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-[[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid
Also Known As: Cryptoporic acid B, (3S,4R)-4-[[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid, (1R,2S)-1-[[[(1S,4aalpha)-Decahydro-5,8abeta-dimethyl-5alpha-(hydroxymethyl)-2-methylenenaphthalen]-1beta-yl]methoxy]propane-1,2,3-tricarboxylic acid 1,2-dimethyl ester, (3S,4R)-4-(((1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy)-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid, (3S,4R)-4-{[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]methoxy}-5-methoxy-3-(methoxycarbonyl)-5-oxopentanoic acid
| Molecular Formula | C23H36O8 |
|---|---|
| Molecular Weight | 440.24 g/mol |
| LogP | 2.5797 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.24103 |
| Heavy Atoms | 31 |
| Complexity | 703.69006 |
Chemical Identifiers
| CAS Number | 113592-88-4 |
|---|---|
| SMILES | C[C@]1(CCC[C@]2([C@H]1CCC(=C)[C@@H]2CO[C@H]([C@H](CC(=O)O)C(=O)OC)C(=O)OC)C)CO |
Product Overview
Cryptoporic acid B (CAS 113592-88-4), with molecular formula C23H36O8 and molecular weight 440.24 g/mol. IUPAC: (3S,4R)-4-[[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid.
Chemical Property Profile of Cryptoporic acid B
Property Insights of Cryptoporic acid B
The XLogP value of 2.5797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cryptoporic acid B. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Cryptoporic acid B. Following Lipinski's Rule of Five, Cryptoporic acid B has 2 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 Cryptoporic acid B?
The CAS number of Cryptoporic acid B is 113592-88-4.
What is the molecular formula of Cryptoporic acid B?
The molecular formula of Cryptoporic acid B is C23H36O8.
What is the molecular weight of Cryptoporic acid B?
The molecular weight of Cryptoporic acid B is 440.24 g/mol.
Where can I buy Cryptoporic acid B?
You can request a quote for Cryptoporic acid B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cryptoporic acid B?
Yes, KEHONG BIO provides custom synthesis services for Cryptoporic acid B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.