Semiglabrin
TL;DR: Semiglabrin (CAS 51787-32-7) is a chemical compound with molecular formula C23H20O6 and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(12S,15R,16R)-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraen-15-yl] acetate
Also Known As: Semiglabrin, (-)-Semiglabrin, (-)-10alpha-(Acetyloxy)-7aalpha,9,10,10aalpha-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3 ,2 :4,5]furo[2,3-h]-1-benzopyran-4-one, (12S,15R,16R)-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,4,7,9-tetraen-15-yl acetate, (7aS,10R,10aR)-9,9-Dimethyl-4-oxo-2-phenyl-7a,9,10,10a-tetrahydro-4H-furo[3',2':4,5]furo[2,3-h][1]benzopyran-10-yl acetate
| Molecular Formula | C23H20O6 |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.12598 |
| Heavy Atoms | 29 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 51787-32-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]2[C@@H](OC3=C2C4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)OC1(C)C |
| InChIKey | XTIQPKJOGKMOSY-FCEUIQTBSA-N |
Product Overview
Semiglabrin (CAS 51787-32-7), with molecular formula C23H20O6 and molecular weight 392.13 g/mol. IUPAC: [(12S,15R,16R)-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraen-15-yl] acetate.
Chemical Property Profile of Semiglabrin
Property Insights of Semiglabrin
The XLogP value of 3.3 indicates that Semiglabrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Semiglabrin. Following Lipinski's Rule of Five, Semiglabrin has 0 hydrogen bond donor(s) and 6 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 Semiglabrin?
The CAS number of Semiglabrin is 51787-32-7.
What is the molecular formula of Semiglabrin?
The molecular formula of Semiglabrin is C23H20O6.
What is the molecular weight of Semiglabrin?
The molecular weight of Semiglabrin is 392.13 g/mol.
Where can I buy Semiglabrin?
You can request a quote for Semiglabrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Semiglabrin?
Yes, KEHONG BIO provides custom synthesis services for Semiglabrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.