2-Cyano-3-chloropyridine
TL;DR: 2-Cyano-3-chloropyridine (CAS 38180-46-0) is a chemical compound with molecular formula C28H26N2O8 and molecular weight 518.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetramethyl 2-(1H-indol-3-yl)-1,3,4,9-tetrahydrocarbazole-1,2,3,4-tetracarboxylate
Also Known As: 2-Cyano-3-chloropyridine, 3-Chloro-pyridine-2-carbonitrile, tetramethyl 2-(1h-indol-3-yl)-2,3,4,9-tetrahydro-1h-carbazole-1,2,3,4-tetracarboxylate, tetramethyl 2-(1H-indol-3-yl)-1,3,4,9-tetrahydrocarbazole-1,, tetramethyl 2-(1H-indol-3-yl)-1,3,4,9-tetrahydrocarbazole-1,2,3,4-tetracarboxylate
| Molecular Formula | C28H26N2O8 |
|---|---|
| Molecular Weight | 518.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.16895 |
| Heavy Atoms | 38 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 38180-46-0 |
|---|---|
| SMILES | COC(=O)C1C(C(C(C2=C1C3=CC=CC=C3N2)C(=O)OC)(C4=CNC5=CC=CC=C54)C(=O)OC)C(=O)OC |
| InChIKey | BUPMPYRNBMIMQU-UHFFFAOYSA-N |
Product Overview
2-Cyano-3-chloropyridine (CAS 38180-46-0), with molecular formula C28H26N2O8 and molecular weight 518.17 g/mol. IUPAC: tetramethyl 2-(1H-indol-3-yl)-1,3,4,9-tetrahydrocarbazole-1,2,3,4-tetracarboxylate.
Chemical Property Profile of 2-Cyano-3-chloropyridine
Property Insights of 2-Cyano-3-chloropyridine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-chloropyridine. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-chloropyridine. Following Lipinski's Rule of Five, 2-Cyano-3-chloropyridine 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 2-Cyano-3-chloropyridine?
The CAS number of 2-Cyano-3-chloropyridine is 38180-46-0.
What is the molecular formula of 2-Cyano-3-chloropyridine?
The molecular formula of 2-Cyano-3-chloropyridine is C28H26N2O8.
What is the molecular weight of 2-Cyano-3-chloropyridine?
The molecular weight of 2-Cyano-3-chloropyridine is 518.17 g/mol.
Where can I buy 2-Cyano-3-chloropyridine?
You can request a quote for 2-Cyano-3-chloropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-chloropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-chloropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.