Elephantin
TL;DR: Elephantin (CAS 21899-50-3) is a chemical compound with molecular formula C20H22O7 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,5R,6S,10R,11R)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 3-methylbut-2-enoate
Also Known As: Elephantin, (methyl-methylene-dioxo-[?]yl) 3-methylbut-2-enoate, 2-Butenoic acid, 3-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester, 2-Butenoic acid, 3-methyl-, 1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro(2,3-f)oxireno(d)oxacycloundecin-8-yl ester, (1aR-(1aR*,3R*,8S*,8aR*,11aS*,11bR*))-
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.13657 |
| Heavy Atoms | 27 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 21899-50-3 |
|---|---|
| SMILES | CC(=CC(=O)O[C@@H]1CC2=C[C@H](C[C@]3([C@H](O3)[C@@H]4[C@@H]1C(=C)C(=O)O4)C)OC2=O)C |
| InChIKey | HSTUUCOYVIWGLJ-VZXXYCNRSA-N |
Product Overview
Elephantin (CAS 21899-50-3), with molecular formula C20H22O7 and molecular weight 374.14 g/mol. IUPAC: [(1S,3S,5R,6S,10R,11R)-3-methyl-9-methylidene-8,14-dioxo-4,7,15-trioxatetracyclo[11.2.1.03,5.06,10]hexadec-13(16)-en-11-yl] 3-methylbut-2-enoate.
Chemical Property Profile of Elephantin
Property Insights of Elephantin
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elephantin. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Elephantin. Following Lipinski's Rule of Five, Elephantin has 0 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 Elephantin?
The CAS number of Elephantin is 21899-50-3.
What is the molecular formula of Elephantin?
The molecular formula of Elephantin is C20H22O7.
What is the molecular weight of Elephantin?
The molecular weight of Elephantin is 374.14 g/mol.
Where can I buy Elephantin?
You can request a quote for Elephantin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elephantin?
Yes, KEHONG BIO provides custom synthesis services for Elephantin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.