Indopred
TL;DR: Indopred (CAS 118462-63-8) is a chemical compound with molecular formula C40H42ClNO8 and molecular weight 699.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Also Known As: Indopred, J2.459.889F, [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate, 2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate, 21-[[[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-yl]acetyl]oxy]-11beta,17-dihydroxypregna-1,4-diene-3,20-dione
| Molecular Formula | C40H42ClNO8 |
|---|---|
| Molecular Weight | 699.26 g/mol |
| LogP | 5.96482 |
| Topological Polar Surface Area | 132.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 699.2599 |
| Heavy Atoms | 50 |
| Complexity | 1993.4348 |
Chemical Identifiers
| CAS Number | 118462-63-8 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)[C@]4(CC[C@@H]5[C@@]4(C[C@@H]([C@H]6[C@H]5CCC7=CC(=O)C=C[C@]67C)O)C)O |
Product Overview
Indopred (CAS 118462-63-8), with molecular formula C40H42ClNO8 and molecular weight 699.26 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
Chemical Property Profile of Indopred
Property Insights of Indopred
The XLogP value of 5.96482 indicates that Indopred is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Indopred. Following Lipinski's Rule of Five, Indopred has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Indopred?
The CAS number of Indopred is 118462-63-8.
What is the molecular formula of Indopred?
The molecular formula of Indopred is C40H42ClNO8.
What is the molecular weight of Indopred?
The molecular weight of Indopred is 699.26 g/mol.
Where can I buy Indopred?
You can request a quote for Indopred directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indopred?
Yes, KEHONG BIO provides custom synthesis services for Indopred and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.