![(8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate structure](/static/products/6351/63518-07-0.webp)
(8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate
TL;DR: (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate (CAS 63518-07-0) is a chemical compound with molecular formula C27H31N3O2 and molecular weight 429.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate
Also Known As: (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate, 22-Amino-23-cyano-21-nitrilo-16,24-cyclochola-5,16(24),17,22-tetraen-3-yl acetate
| Molecular Formula | C27H31N3O2 |
|---|---|
| Molecular Weight | 429.24 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.24164 |
| Heavy Atoms | 32 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 63518-07-0 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=CC(=C(C(=C54)C#N)N)C#N)C)C |
| InChIKey | MWDGZNLHVLTBCS-UHFFFAOYSA-N |
Product Overview
(8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate (CAS 63518-07-0), with molecular formula C27H31N3O2 and molecular weight 429.24 g/mol. IUPAC: (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate.
Chemical Property Profile of (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate
Property Insights of (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate
The XLogP value of 5.2 indicates that (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate. Following Lipinski's Rule of Five, (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate?
The CAS number of (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate is 63518-07-0.
What is the molecular formula of (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate?
The molecular formula of (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate is C27H31N3O2.
What is the molecular weight of (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate?
The molecular weight of (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate is 429.24 g/mol.
Where can I buy (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate?
You can request a quote for (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (8-amino-7,9-dicyano-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthren-2-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.