Anhydrogrossmizin
TL;DR: Anhydrogrossmizin (CAS 35945-78-9) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aR,9aR)-1,5,8-trimethyl-1,3a,4,9a-tetrahydroazuleno[6,5-b]furan-2,6-dione
Also Known As: Anhydrogrossmizin, Grossmizin, anhydro-, 3,5,8-Trimethyl-3,3a,9,9a-tetrahydroazuleno[6,5-b]furan-2,7-dione, (1S,3aR,9aR)-1,5,8-trimethyl-1,3a,4,9a-tetrahydroazuleno[6,5-b]furan-2,6-dione, (3S,3aR,9aR)-3,5,8-trimethyl-3,3a,9,9a-tetrahydroazuleno[6,5-b]furan-2,7-dione
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 35945-78-9 |
|---|---|
| SMILES | C[C@H]1[C@H]2C=C3C(=CC(=O)C3=C(C[C@H]2OC1=O)C)C |
| InChIKey | FRBORWNVTCITAQ-UFGOTCBOSA-N |
Product Overview
Anhydrogrossmizin (CAS 35945-78-9), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: (1S,3aR,9aR)-1,5,8-trimethyl-1,3a,4,9a-tetrahydroazuleno[6,5-b]furan-2,6-dione.
Chemical Property Profile of Anhydrogrossmizin
Property Insights of Anhydrogrossmizin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anhydrogrossmizin. With a topological polar surface area (TPSA) of 43.4 Ų, Anhydrogrossmizin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anhydrogrossmizin has 0 hydrogen bond donor(s) and 3 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 Anhydrogrossmizin?
The CAS number of Anhydrogrossmizin is 35945-78-9.
What is the molecular formula of Anhydrogrossmizin?
The molecular formula of Anhydrogrossmizin is C15H16O3.
What is the molecular weight of Anhydrogrossmizin?
The molecular weight of Anhydrogrossmizin is 244.11 g/mol.
Where can I buy Anhydrogrossmizin?
You can request a quote for Anhydrogrossmizin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anhydrogrossmizin?
Yes, KEHONG BIO provides custom synthesis services for Anhydrogrossmizin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.