6-O-Isovalerylbutyrylhelenalin
TL;DR: 6-O-Isovalerylbutyrylhelenalin (CAS 40737-22-2) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 3-methylbutanoate
Also Known As: 6-O-Isovalerylbutyrylhelenalin, (5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 3-methylbutanoate, 4a,8-Dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl 3-methylbutanoate
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 40737-22-2 |
|---|---|
| SMILES | CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)CC(C)C)C(=C)C(=O)O2 |
| InChIKey | DFICPKHXQKFCSO-UHFFFAOYSA-N |
Product Overview
6-O-Isovalerylbutyrylhelenalin (CAS 40737-22-2), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: (5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 3-methylbutanoate.
Chemical Property Profile of 6-O-Isovalerylbutyrylhelenalin
Property Insights of 6-O-Isovalerylbutyrylhelenalin
The XLogP value of 3.3 indicates that 6-O-Isovalerylbutyrylhelenalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-O-Isovalerylbutyrylhelenalin. Following Lipinski's Rule of Five, 6-O-Isovalerylbutyrylhelenalin 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 6-O-Isovalerylbutyrylhelenalin?
The CAS number of 6-O-Isovalerylbutyrylhelenalin is 40737-22-2.
What is the molecular formula of 6-O-Isovalerylbutyrylhelenalin?
The molecular formula of 6-O-Isovalerylbutyrylhelenalin is C20H26O5.
What is the molecular weight of 6-O-Isovalerylbutyrylhelenalin?
The molecular weight of 6-O-Isovalerylbutyrylhelenalin is 346.18 g/mol.
Where can I buy 6-O-Isovalerylbutyrylhelenalin?
You can request a quote for 6-O-Isovalerylbutyrylhelenalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-Isovalerylbutyrylhelenalin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-Isovalerylbutyrylhelenalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.