Crenulacetal C
TL;DR: Crenulacetal C (CAS 99798-72-8) is a chemical compound with molecular formula C24H38O5 and molecular weight 406.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,12-dimethoxy-5-methyl-8-(6-methylhept-5-en-2-yl)-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-7-yl] acetate
Also Known As: Crenulacetal C, (-)-Crenulacetal C, 1H-Cyclopropa(3,4)cycloocta(1,2-c)furan-5-ol, 4-(1,5-dimethyl-4-hexenyl)-3,4,5,6,7,7a,8,8a-octahydro-1,3-dimethoxy-7-methyl-, acetate, (1S-(1alpha,3alpha,4beta(S*),5beta,7alpha,7aalpha,8aalpha))-, ((2S,4S,5R,7R,8S,10R,12S)-10,12-dimethoxy-5-methyl-8-(6-methylhept-5-en-2-yl)-11-oxatricyclo(7.3.0.02,4)dodec-1(9)-en-7-yl) acetate, (10,12-dimethoxy-5-methyl-8-(6-methylhept-5-en-2-yl)-11-oxatricyclo(7.3.0.02,4)dodec-1(9)-en-7-yl) acetate
| Molecular Formula | C24H38O5 |
|---|---|
| Molecular Weight | 406.27 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.2719 |
| Heavy Atoms | 29 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 99798-72-8 |
|---|---|
| SMILES | CC1CC(C(C2=C(C3C1C3)C(OC2OC)OC)C(C)CCC=C(C)C)OC(=O)C |
| InChIKey | FIIDPPXHLGJPTN-UHFFFAOYSA-N |
Product Overview
Crenulacetal C (CAS 99798-72-8), with molecular formula C24H38O5 and molecular weight 406.27 g/mol. IUPAC: [10,12-dimethoxy-5-methyl-8-(6-methylhept-5-en-2-yl)-11-oxatricyclo[7.3.0.02,4]dodec-1(9)-en-7-yl] acetate.
Chemical Property Profile of Crenulacetal C
Property Insights of Crenulacetal C
The XLogP value of 4.2 indicates that Crenulacetal C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Crenulacetal C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crenulacetal C 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 Crenulacetal C?
The CAS number of Crenulacetal C is 99798-72-8.
What is the molecular formula of Crenulacetal C?
The molecular formula of Crenulacetal C is C24H38O5.
What is the molecular weight of Crenulacetal C?
The molecular weight of Crenulacetal C is 406.27 g/mol.
Where can I buy Crenulacetal C?
You can request a quote for Crenulacetal C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crenulacetal C?
Yes, KEHONG BIO provides custom synthesis services for Crenulacetal C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.