RefChem:238628
TL;DR: RefChem:238628 (CAS 80276-07-9) is a chemical compound with molecular formula C20H20ClNO2 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride
Also Known As: 1-Methyl-9-benzoyloxy-1,2,3,9a-tetrahydro-1-azafluorene hydrochloride, 2,3,9,9a-Tetrahydro-1-methyl-1H-indeno(2,1-b)pyridin-9-ol benzoate hydrochloride, 1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, benzoate (ester), monohydrochloride, (1-Methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl)benzoate chloride, (1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride
| Molecular Formula | C20H20ClNO2 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | -0.73 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.11826 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 80276-07-9 |
|---|---|
| SMILES | C[NH+]1CCC=C2C1C(C3=CC=CC=C23)OC(=O)C4=CC=CC=C4.[Cl-] |
| InChIKey | DHHOMBKMDILGMW-UHFFFAOYSA-N |
Product Overview
RefChem:238628 (CAS 80276-07-9), with molecular formula C20H20ClNO2 and molecular weight 341.12 g/mol. IUPAC: (1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride.
Chemical Property Profile of RefChem:238628
Property Insights of RefChem:238628
The XLogP value of -0.73 indicates that RefChem:238628 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:238628 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:238628 has 1 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:238628?
The CAS number of RefChem:238628 is 80276-07-9.
What is the molecular formula of RefChem:238628?
The molecular formula of RefChem:238628 is C20H20ClNO2.
What is the molecular weight of RefChem:238628?
The molecular weight of RefChem:238628 is 341.12 g/mol.
Where can I buy RefChem:238628?
You can request a quote for RefChem:238628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:238628?
Yes, KEHONG BIO provides custom synthesis services for RefChem:238628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.