RefChem:237406
TL;DR: RefChem:237406 (CAS 4499-19-8) is a chemical compound with molecular formula C15H16Cl2N2O2 and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-9-methyl-3-aza-10-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene-2-carboxylate chloride
Also Known As: 1H-Azepino(5,4,3-cd)indole-2-carboxylic acid, 3,4-dihydro-9-chloro-6-methyl-, ethyl ester, hydrochloride, 1H-AZEPINO(5,4,3-cd)INDOLE-2-CARBOXYLIC ACID, 3,4-DIHYDRO-9-CHLORO-6-METHYL-, ET, 1H-Azepino[5,4,3-cd]indole-2-carboxylic acid, 9-chloro-3,4-dihydro-6-methyl-, monohydrochloride, RefChem:237406
| Molecular Formula | C15H16Cl2N2O2 |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | -1.55 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.05887 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 4499-19-8 |
|---|---|
| SMILES | CCOC(=O)C1=C2CC[NH+]=C(C3=C2C(=C(C=C3)Cl)N1)C.[Cl-] |
| InChIKey | FLUPVAJYOFWAGP-UHFFFAOYSA-N |
Product Overview
RefChem:237406 (CAS 4499-19-8), with molecular formula C15H16Cl2N2O2 and molecular weight 326.06 g/mol. IUPAC: ethyl 5-chloro-9-methyl-3-aza-10-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene-2-carboxylate chloride.
Chemical Property Profile of RefChem:237406
Property Insights of RefChem:237406
The XLogP value of -1.55 indicates that RefChem:237406 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.1 Ų, RefChem:237406 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237406 has 2 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 RefChem:237406?
The CAS number of RefChem:237406 is 4499-19-8.
What is the molecular formula of RefChem:237406?
The molecular formula of RefChem:237406 is C15H16Cl2N2O2.
What is the molecular weight of RefChem:237406?
The molecular weight of RefChem:237406 is 326.06 g/mol.
Where can I buy RefChem:237406?
You can request a quote for RefChem:237406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237406?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.