(-)-12-Oxocalanolide B
TL;DR: (-)-12-Oxocalanolide B (CAS 151005-67-3) is a chemical compound with molecular formula C22H24O5 and molecular weight 368.16238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(16S,17S)-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-pentaene-4,18-dione
Also Known As: (-)-12-Oxocalanolide B, 12-Oxocalanolide, Calanolide B deriv., tetramethyl(propyl)[?]dione, KST-1A2220
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H24O5 |
| Molecular Weight | 368.16238 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.16238 Da |
| Heavy Atoms | 27 |
| Complexity | 705.0 |
| SMILES | CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)[C@H]([C@@H](O4)C)C |
| InChIKey | HQVBDUZROQMWRN-RYUDHWBXSA-N |
Chemical Property Profile of (-)-12-Oxocalanolide B
Property Insights of (-)-12-Oxocalanolide B
The XLogP value of 4.2 indicates that (-)-12-Oxocalanolide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (-)-12-Oxocalanolide B. Following Lipinski's Rule of Five, (-)-12-Oxocalanolide 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-Oxocalanolide B?
The CAS number of (-)-12-Oxocalanolide B is 151005-67-3.
What is the molecular formula of (-)-12-Oxocalanolide B?
The molecular formula of (-)-12-Oxocalanolide B is C22H24O5.
What is the molecular weight of (-)-12-Oxocalanolide B?
The molecular weight of (-)-12-Oxocalanolide B is 368.16238 g/mol.
Where can I buy (-)-12-Oxocalanolide B?
You can request a quote for (-)-12-Oxocalanolide B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (-)-12-Oxocalanolide B?
Yes, CoreyChem provides custom synthesis services for (-)-12-Oxocalanolide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.