![Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel- structure](/static/products/9514/951-42-8.webp)
Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-
TL;DR: Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel- (CAS 951-42-8) is a chemical compound with molecular formula C10H12ClN3O2 and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(1R,3S,4S,6S)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate
Also Known As: Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-
| Molecular Formula | C10H12ClN3O2 |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.0618 |
| Heavy Atoms | 16 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 951-42-8 |
|---|---|
| SMILES | CNC(=O)ON=C1[C@@H]2C[C@H]([C@@H]1Cl)C[C@@H]2C#N |
| InChIKey | QCQPGRMMDFIQMB-XUTVFYLZSA-N |
Product Overview
Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel- (CAS 951-42-8), with molecular formula C10H12ClN3O2 and molecular weight 241.06 g/mol. IUPAC: [[(1R,3S,4S,6S)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate.
Chemical Property Profile of Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-
Property Insights of Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-. Following Lipinski's Rule of Five, Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel- has 1 hydrogen bond donor(s) and 4 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 Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-?
The CAS number of Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel- is 951-42-8.
What is the molecular formula of Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-?
The molecular formula of Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel- is C10H12ClN3O2.
What is the molecular weight of Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-?
The molecular weight of Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel- is 241.06 g/mol.
Where can I buy Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-?
You can request a quote for Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1R,2S,4S,5S)-rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.