Sesartemin
TL;DR: Sesartemin (CAS 77394-27-5) is a chemical compound with molecular formula C23H26O8 and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
Also Known As: Sesartemin, (+)-Sesartemin, SESARTEMIN-(+), NCI60_003597, 6-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
| Molecular Formula | C23H26O8 |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.16278 |
| Heavy Atoms | 31 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 77394-27-5 |
|---|---|
| SMILES | COC1=CC(=CC2=C1OCO2)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C(=C5)OC)OC)OC |
| InChIKey | DHWUVPPRBIJJKS-VUEDXXQZSA-N |
Product Overview
Sesartemin (CAS 77394-27-5), with molecular formula C23H26O8 and molecular weight 430.16 g/mol. IUPAC: 6-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole.
Chemical Property Profile of Sesartemin
Property Insights of Sesartemin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sesartemin. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Sesartemin. Following Lipinski's Rule of Five, Sesartemin has 0 hydrogen bond donor(s) and 8 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 Sesartemin?
The CAS number of Sesartemin is 77394-27-5.
What is the molecular formula of Sesartemin?
The molecular formula of Sesartemin is C23H26O8.
What is the molecular weight of Sesartemin?
The molecular weight of Sesartemin is 430.16 g/mol.
Where can I buy Sesartemin?
You can request a quote for Sesartemin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sesartemin?
Yes, KEHONG BIO provides custom synthesis services for Sesartemin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.