12-Methoxycalanolide B
TL;DR: 12-Methoxycalanolide B (CAS 142632-34-6) is a chemical compound with molecular formula C23H28O5 and molecular weight 384.19366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(16R,17R,18R)-18-methoxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
Also Known As: 12-Methoxycalanolide B, 12-Methoxycalanolide A, methoxy-tetramethyl-propyl-[?]one, (10R)-11,12-Dihydro-4-propyl-12beta-methoxy-6,6,10alpha,11beta-tetramethyl-2H,6H,10H-benzo[1,2-b:3,4-b :5,6-b ]tripyran-2-one, (10R,11R,12R)-12-methoxy-6,6,10,11-tetramethyl-4-propyl-6,10,11,12-tetrahydro-2H-1,5,9-trioxatriphenylen-2-one
Technical Specifications
| Molecular Formula | C23H28O5 |
| Molecular Weight | 384.19366 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.19366 Da |
| Heavy Atoms | 28 |
| Complexity | 680.0 |
| SMILES | CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@@H]([C@@H]([C@H](O4)C)C)OC |
| InChIKey | KEWWSURXGADRPV-VLXJIEOASA-N |
Chemical Property Profile of 12-Methoxycalanolide B
Property Insights of 12-Methoxycalanolide B
The XLogP value of 4.4 indicates that 12-Methoxycalanolide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 12-Methoxycalanolide B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Methoxycalanolide B has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 12-Methoxycalanolide B?
The CAS number of 12-Methoxycalanolide B is 142632-34-6.
What is the molecular formula of 12-Methoxycalanolide B?
The molecular formula of 12-Methoxycalanolide B is C23H28O5.
What is the molecular weight of 12-Methoxycalanolide B?
The molecular weight of 12-Methoxycalanolide B is 384.19366 g/mol.
Where can I buy 12-Methoxycalanolide B?
You can request a quote for 12-Methoxycalanolide B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12-Methoxycalanolide B?
Yes, CoreyChem provides custom synthesis services for 12-Methoxycalanolide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.