1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol
TL;DR: 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol (CAS 14110-73-7) is a chemical compound with molecular formula C29H45NO4 and molecular weight 471.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol
Also Known As: 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol, 1-Benzyl-4-(8,11-dihydroxy-4-methylundec-1-en-1-yl)-7-methyl-6-methylideneoctahydro-3aH-isoindole-3a,5-diol, 3a,5(4H)-Isoindolinediol, 1-benzyl-4-(8,11-dihydroxy-4-methyl-1-undecenyl)tetrahydro-7-methyl-6-methylene-
| Molecular Formula | C29H45NO4 |
|---|---|
| Molecular Weight | 471.33 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 471.33487 |
| Heavy Atoms | 34 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 14110-73-7 |
|---|---|
| SMILES | CC1C2C(NCC2(C(C(C1=C)O)C=CCC(C)CCCC(CCCO)O)O)CC3=CC=CC=C3 |
| InChIKey | IMSGHUBCVJVMDU-UHFFFAOYSA-N |
Product Overview
1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol (CAS 14110-73-7), with molecular formula C29H45NO4 and molecular weight 471.33 g/mol. IUPAC: 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol.
Chemical Property Profile of 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol
Property Insights of 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol
The XLogP value of 3.5 indicates that 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol. Following Lipinski's Rule of Five, 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol has 5 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 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol?
The CAS number of 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol is 14110-73-7.
What is the molecular formula of 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol?
The molecular formula of 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol is C29H45NO4.
What is the molecular weight of 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol?
The molecular weight of 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol is 471.33 g/mol.
Where can I buy 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol?
You can request a quote for 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-(8,11-dihydroxy-4-methylundec-1-enyl)-7-methyl-6-methylidene-2,3,4,5,7,7a-hexahydro-1H-isoindole-3a,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.