Anopterine
TL;DR: Anopterine (CAS 38826-62-9) is a chemical compound with molecular formula C31H43NO7 and molecular weight 541.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,4S,5S,7S,9S,14S,15R,16S,17R)-3,4,7-trihydroxy-9,11-dimethyl-16-[(E)-2-methylbut-2-enoyl]oxy-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-15-yl] (E)-2-methylbut-2-enoate
Also Known As: [(1S,3S,4S,5S,7S,9S,14S,15R,16S,17R)-3,4,7-trihydroxy-9,11-dimethyl-16-[(E)-2-methylbut-2-enoyl]oxy-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-15-yl] (E)-2-methylbut-2-enoate|((1S,3S,4S,5S,7S,9S,14S,15R,16S,17R)-3,4,7-trihydroxy-9,11-dimethyl-16-((E)-2-methylbut-2-enoyl)oxy-19-methylidene-11-azahexacyclo(12.3.2.01,13.04,9.05,12.05,17)nonadecan-15-yl) (E)-2-methylbut-2-enoate|(1S,3S,4S,5S,7S,9S,12R,13S,14R,15R,16S,17R)-3,4,7-Trihydroxy-9,11-dimethyl-16-(((2E)-2-methylbut-2-enoyl)oxy)-19-methylidene-11-azahexacyclo(12.3.2.0,.0,.0,.0,)nonadecan-15-yl (2E)-2-methylbut-2-enoic acid|(1S,3S,4S,5S,7S,9S,12R,13S,14R,15R,16S,17R)-3,4,7-Trihydroxy-9,11-dimethyl-16-{[(2E)-2-methylbut-2-enoyl]oxy}-19-methylidene-11-azahexacyclo[12.3.2.0,.0,.0,.0,]nonadecan-15-yl (2E)-2-methylbut-2-enoic acid|(1S,3S,4S,5S,7S,9S,14S,15R,16S,17R)-3,4,7-Trihydroxy-9,11-dimethyl-19-methylidene-11-azahexacyclo[12.3.2.0~1,13~.0~4,9~.0~5,12~.0~5,17~]nonadecane-15,16-diyl bis[(2E)-2-methylbut-2-enoate]|3-oxo-3-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(7-hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((E)-3-(4-hydroxyphenyl)prop-2-enoyl)oxymethyl)tetrahydropyran-2-yl)oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl)oxy-tetrahydropyran-2-yl)methoxy)propanoic acid|3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-tetrahydropyran-2-yl]methoxy]propanoic acid
| Molecular Formula | C31H43NO7 |
|---|---|
| Molecular Weight | 541.30 g/mol |
| LogP | 2.5216 |
| Topological Polar Surface Area | 116.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 541.30396 |
| Heavy Atoms | 39 |
| Complexity | 1209.2345 |
Chemical Identifiers
| CAS Number | 38826-62-9 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1[C@H]([C@@H]2[C@@]34C[C@@H]([C@]5([C@@]26C[C@H](C[C@]5(CN(C6C3[C@H]1C(=C)C4)C)C)O)O)O)OC(=O)/C(=C/C)/C |
Product Overview
Anopterine (CAS 38826-62-9), with molecular formula C31H43NO7 and molecular weight 541.30 g/mol. IUPAC: [(1S,3S,4S,5S,7S,9S,14S,15R,16S,17R)-3,4,7-trihydroxy-9,11-dimethyl-16-[(E)-2-methylbut-2-enoyl]oxy-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-15-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Anopterine
Property Insights of Anopterine
The XLogP value of 2.5216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anopterine. The TPSA of 116.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Anopterine. Following Lipinski's Rule of Five, Anopterine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anopterine?
The CAS number of Anopterine is 38826-62-9.
What is the molecular formula of Anopterine?
The molecular formula of Anopterine is C31H43NO7.
What is the molecular weight of Anopterine?
The molecular weight of Anopterine is 541.30 g/mol.
Where can I buy Anopterine?
You can request a quote for Anopterine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anopterine?
Yes, KEHONG BIO provides custom synthesis services for Anopterine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.