(2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile
TL;DR: (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile (CAS 413576-43-9) is a chemical compound with molecular formula C22H21ClN2O and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile
Also Known As: (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile, 2-(1-adamantylcarbonyl)-3-(3-chlorophenyl)-1,1-cyclopropanedicarbonitrile, AM-807/41062517, (2S,3R)-3-(adamantanylcarbonyl)-2-(3-chlorophenyl)cyclopropane-1,1-dicarbonitr ile, (2R,3S)-2-((3R,5R,7R)-adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile
| Molecular Formula | C22H21ClN2O |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 4.87246 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.13425 |
| Heavy Atoms | 26 |
| Complexity | 827.5796 |
Chemical Identifiers
| CAS Number | 413576-43-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)[C@@H]4[C@H](C4(C#N)C#N)C5=CC(=CC=C5)Cl |
Product Overview
(2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile (CAS 413576-43-9), with molecular formula C22H21ClN2O and molecular weight 364.13 g/mol. IUPAC: trans-(2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile.
Chemical Property Profile of (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile
Property Insights of (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile
The XLogP value of 4.87246 indicates that (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile has 0 hydrogen bond donor(s) and 3 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 (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile?
The CAS number of (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile is 413576-43-9.
What is the molecular formula of (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile?
The molecular formula of (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile is C22H21ClN2O.
What is the molecular weight of (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile?
The molecular weight of (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile is 364.13 g/mol.
Where can I buy (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile?
You can request a quote for (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S)-2-(adamantane-1-carbonyl)-3-(3-chlorophenyl)cyclopropane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.