(-)-7,8-Dihydro-12-oxocalanolide B
TL;DR: (-)-7,8-Dihydro-12-oxocalanolide B (CAS 4867-21-4) is a chemical compound with molecular formula C22H26O5 and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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)-tetraene-4,18-dione
Also Known As: (-)-7,8-Dihydro-12-oxocalanolide B, tetramethyl(propyl)[?]dione, 7,8-Dihydro-12-oxocalanolide B, (+/-)-trans-7,8-Dihydroketone, 7,8-Dihydro-12-oxocalanolide B, (-)-
| Molecular Formula | C22H26O5 |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.178 |
| Heavy Atoms | 27 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 4867-21-4 |
|---|---|
| SMILES | CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2C(=O)[C@H]([C@@H](O4)C)C |
| InChIKey | DOQZDHYXBAJGFY-RYUDHWBXSA-N |
Product Overview
(-)-7,8-Dihydro-12-oxocalanolide B (CAS 4867-21-4), with molecular formula C22H26O5 and molecular weight 370.18 g/mol. IUPAC: (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)-tetraene-4,18-dione.
Chemical Property Profile of (-)-7,8-Dihydro-12-oxocalanolide B
Property Insights of (-)-7,8-Dihydro-12-oxocalanolide B
The XLogP value of 4.2 indicates that (-)-7,8-Dihydro-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 (-)-7,8-Dihydro-12-oxocalanolide B. Following Lipinski's Rule of Five, (-)-7,8-Dihydro-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
Frequently Asked Questions
What is the CAS number of (-)-7,8-Dihydro-12-oxocalanolide B?
The CAS number of (-)-7,8-Dihydro-12-oxocalanolide B is 4867-21-4.
What is the molecular formula of (-)-7,8-Dihydro-12-oxocalanolide B?
The molecular formula of (-)-7,8-Dihydro-12-oxocalanolide B is C22H26O5.
What is the molecular weight of (-)-7,8-Dihydro-12-oxocalanolide B?
The molecular weight of (-)-7,8-Dihydro-12-oxocalanolide B is 370.18 g/mol.
Where can I buy (-)-7,8-Dihydro-12-oxocalanolide B?
You can request a quote for (-)-7,8-Dihydro-12-oxocalanolide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-7,8-Dihydro-12-oxocalanolide B?
Yes, KEHONG BIO provides custom synthesis services for (-)-7,8-Dihydro-12-oxocalanolide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.