Amaralin
TL;DR: Amaralin (CAS 6831-10-3) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,7S,9R,10S,11R,13S,14R)-14-hydroxy-1,9-dimethyl-4-methylidene-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-5-one
Also Known As: Amaralin, Amaralin from helenium amarum, (1aR,1bS,2R,3aS,6aR,7aS,8R,8aS)-8-hydroxy-2,7a-dimethyl-6-methylidene-1a,1b,2,3,3a,6a,7,7a,8,8a-decahydrooxireno[1,2]azuleno[6,5-b]furan-5(6H)-one, (1ar,1bs,2r,3as,6ar,7as,8r,8as)-8-hydroxy-2,7a-dimethyl-6-methylidenedecahydrooxireno[1,2]azuleno[6,5-b]furan-5(1ah)-one, (1aR,1balpha,3abeta,6aalpha,8abeta)-1b,2,3,3a,6,6a,7,7a,8,8a-Decahydro-8beta-hydroxy-2alpha,7abeta-dimethyl-6-methyleneoxireno[1,2]azuleno[6,5-b]furan-5(1aH)-one
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 6831-10-3 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1[C@@H]4[C@H]([C@@H]3O)O4)C)C(=C)C(=O)O2 |
| InChIKey | XPNBRTWIMIGGMT-MIPSWGQUSA-N |
Product Overview
Amaralin (CAS 6831-10-3), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: (1S,3R,7S,9R,10S,11R,13S,14R)-14-hydroxy-1,9-dimethyl-4-methylidene-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-5-one.
Chemical Property Profile of Amaralin
Property Insights of Amaralin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amaralin. With a topological polar surface area (TPSA) of 59.1 Ų, Amaralin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Amaralin has 1 hydrogen bond donor(s) and 4 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 Amaralin?
The CAS number of Amaralin is 6831-10-3.
What is the molecular formula of Amaralin?
The molecular formula of Amaralin is C15H20O4.
What is the molecular weight of Amaralin?
The molecular weight of Amaralin is 264.14 g/mol.
Where can I buy Amaralin?
You can request a quote for Amaralin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amaralin?
Yes, KEHONG BIO provides custom synthesis services for Amaralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.