(+)-4-Hydroxycrenulide
TL;DR: (+)-4-Hydroxycrenulide (CAS 83845-31-2) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S,5R,7R,8S)-7-hydroxy-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-12-one
Also Known As: (+)-4-Hydroxycrenulide, [(1R)-1,5-dimethylhex-4-enyl]-hydroxy-methyl-[?]one, 1H-Cyclopropa(3,4)cycloocta(1,2-c)furan-1-one, 4-((1R)-1,5-dimethyl-4-hexenyl)-3,4,5,6,7,7a,8,8a-octahydro-5-hydroxy-7-methyl-, (4S,5R,7R,7aS,8aS)-, (4S,5R,7R,7aS,8aS)-5-Hydroxy-7-methyl-4-[(2R)-6-methylhept-5-en-2-yl]-3,4,5,6,7,7a,8,8a-octahydro-1H-cyclopropa[3,4]cycloocta[1,2-c]furan-1-one
| Molecular Formula | C20H30O3 |
|---|---|
| Molecular Weight | 318.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.21948 |
| Heavy Atoms | 23 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 83845-31-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]([C@H](C2=C([C@@H]3[C@H]1C3)C(=O)OC2)[C@H](C)CCC=C(C)C)O |
| InChIKey | GPYUIWHQODGMSY-ZTNNJZCJSA-N |
Product Overview
(+)-4-Hydroxycrenulide (CAS 83845-31-2), with molecular formula C20H30O3 and molecular weight 318.22 g/mol. IUPAC: (2S,4S,5R,7R,8S)-7-hydroxy-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-12-one.
Chemical Property Profile of (+)-4-Hydroxycrenulide
Property Insights of (+)-4-Hydroxycrenulide
The XLogP value of 4.1 indicates that (+)-4-Hydroxycrenulide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, (+)-4-Hydroxycrenulide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-4-Hydroxycrenulide has 1 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 (+)-4-Hydroxycrenulide?
The CAS number of (+)-4-Hydroxycrenulide is 83845-31-2.
What is the molecular formula of (+)-4-Hydroxycrenulide?
The molecular formula of (+)-4-Hydroxycrenulide is C20H30O3.
What is the molecular weight of (+)-4-Hydroxycrenulide?
The molecular weight of (+)-4-Hydroxycrenulide is 318.22 g/mol.
Where can I buy (+)-4-Hydroxycrenulide?
You can request a quote for (+)-4-Hydroxycrenulide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-4-Hydroxycrenulide?
Yes, KEHONG BIO provides custom synthesis services for (+)-4-Hydroxycrenulide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.