oxocalanolide
TL;DR: oxocalanolide (CAS 161753-49-7) 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.
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: oxocalanolide, 12-Oxocalanolide, 12-Oxocalanolide A, (+)-12-Oxocalanolide A, (16R,17R)-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
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(C(O4)C)C |
| InChIKey | HQVBDUZROQMWRN-UHFFFAOYSA-N |
Product Description
Applications: oxocalanolide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
oxocalanolide (CAS 161753-49-7) is a heterocyclic building block with the molecular formula C22H24O5 and a molecular weight of 368.16 g/mol. Synonyms include oxocalanolide and 12-Oxocalanolide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of oxocalanolide
Property Insights of oxocalanolide
The XLogP value of 4.2 indicates that oxocalanolide 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 oxocalanolide. Following Lipinski's Rule of Five, oxocalanolide 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 oxocalanolide?
The CAS number of oxocalanolide is 161753-49-7.
What is the molecular formula of oxocalanolide?
The molecular formula of oxocalanolide is C22H24O5.
What is the molecular weight of oxocalanolide?
The molecular weight of oxocalanolide is 368.16238 g/mol.
What are the applications of oxocalanolide?
oxocalanolide is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy oxocalanolide?
You can request a quote for oxocalanolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for oxocalanolide?
Yes, CoreyChem provides custom synthesis services for oxocalanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.