RefChem:104420
TL;DR: RefChem:104420 (CAS 58479-48-4) is a chemical compound with molecular formula C21H22Cl2N2O2 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-9-[2-(6-methyl-3-pyridinyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-9-ium-2-carboxylic acid chloride
Also Known As: Sid 183251, 6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid, 12-Hydroxyoctadecanoic acid,calcium lithium salt, 6-Chloro-9-(2-(6-methyl-3-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole-2-carboxylic acid HCl, 1H-Carbazole-2-carboxylic acid, 2,3,4,9-tetrahydro-6-chloro-9-(2-(6-methyl-3-pyridinyl)ethyl)-, monohydrochloride
| Molecular Formula | C21H22Cl2N2O2 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 0.42 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.10583 |
| Heavy Atoms | 27 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 58479-48-4 |
|---|---|
| SMILES | CC1=NC=C(C=C1)CC[NH+]2C3=C(CCC(C3)C(=O)O)C4=C2C=CC(=C4)Cl.[Cl-] |
| InChIKey | AXNKKKFNADVIAJ-UHFFFAOYSA-N |
Product Overview
RefChem:104420 (CAS 58479-48-4), with molecular formula C21H22Cl2N2O2 and molecular weight 404.11 g/mol. IUPAC: 6-chloro-9-[2-(6-methyl-3-pyridinyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-9-ium-2-carboxylic acid chloride.
Chemical Property Profile of RefChem:104420
Property Insights of RefChem:104420
The XLogP value of 0.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:104420. With a topological polar surface area (TPSA) of 54.6 Ų, RefChem:104420 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:104420 has 2 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 RefChem:104420?
The CAS number of RefChem:104420 is 58479-48-4.
What is the molecular formula of RefChem:104420?
The molecular formula of RefChem:104420 is C21H22Cl2N2O2.
What is the molecular weight of RefChem:104420?
The molecular weight of RefChem:104420 is 404.11 g/mol.
Where can I buy RefChem:104420?
You can request a quote for RefChem:104420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:104420?
Yes, KEHONG BIO provides custom synthesis services for RefChem:104420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.