2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-
TL;DR: 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))- (CAS 55058-63-4) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aS,5R,8R,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
Also Known As: 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-, [(4R,4aS,5R,8R,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 3.74812 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 743.2677 |
Chemical Identifiers
| CAS Number | 55058-63-4 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1C2=C(C(=O)[C@@H]3[C@@]1([C@@H](CC[C@H]3O)C)C)OC=C2C |
Product Overview
2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))- (CAS 55058-63-4), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: [(4R,4aS,5R,8R,8aR)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-
Property Insights of 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-
The XLogP value of 3.74812 indicates that 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))- has 1 hydrogen bond donor(s) and 5 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 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-?
The CAS number of 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))- is 55058-63-4.
What is the molecular formula of 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-?
The molecular formula of 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))- is C20H26O5.
What is the molecular weight of 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-?
The molecular weight of 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))- is 346.18 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-?
You can request a quote for 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-methyl-, 4,4a,5,6,7,8,8a,9-octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho(2,3-b)furan-4-yl ester, (4S-(4alpha(Z),4aalpha,5alpha,8beta,8abeta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.