RefChem:1058137
TL;DR: RefChem:1058137 (CAS 88823-41-0) is a chemical compound with molecular formula C19H22N2O and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,5R,9bS)-5-(3-amino-4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Also Known As: 1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(3-amino-4-methylphenyl)-, (4a-alpha,5-alpha,9b-alpha)-, (4aS,5R,9bS)-5-(3-amino-4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol, RefChem:1058137, BRN 5760700
| Molecular Formula | C19H22N2O |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.17322 |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 88823-41-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[C@H]2[C@@H]3CCCN[C@@H]3C4=C2C=C(C=C4)O)N |
| InChIKey | JLLFIEWMBLYKSN-ZYSHUDEJSA-N |
Product Overview
RefChem:1058137 (CAS 88823-41-0), with molecular formula C19H22N2O and molecular weight 294.17 g/mol. IUPAC: (4aS,5R,9bS)-5-(3-amino-4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol.
Chemical Property Profile of RefChem:1058137
Property Insights of RefChem:1058137
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058137. With a topological polar surface area (TPSA) of 58.3 Ų, RefChem:1058137 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058137 has 3 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:1058137?
The CAS number of RefChem:1058137 is 88823-41-0.
What is the molecular formula of RefChem:1058137?
The molecular formula of RefChem:1058137 is C19H22N2O.
What is the molecular weight of RefChem:1058137?
The molecular weight of RefChem:1058137 is 294.17 g/mol.
Where can I buy RefChem:1058137?
You can request a quote for RefChem:1058137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058137?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.