RefChem:1078166
TL;DR: RefChem:1078166 (CAS 88823-40-9) 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.
4-[(4aS,5S,9bS)-7-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]aniline
Also Known As: Benzenamine, 4-(2,3,4,4a,5,9b-hexahydro-7-methoxy-1H-indeno(1,2-b)pyridin-5-yl)-, (4a-alpha,5-alpha,9b-alpha)-, 4-[(4aS,5S,9bS)-7-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]aniline, RefChem:1078166, BRN 5760701
| Molecular Formula | C19H22N2O |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.17322 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 88823-40-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[C@@H]3[C@H]([C@H]2C4=CC=C(C=C4)N)CCCN3 |
| InChIKey | KNVPOZMDXCHACQ-QXAKKESOSA-N |
Product Overview
RefChem:1078166 (CAS 88823-40-9), with molecular formula C19H22N2O and molecular weight 294.17 g/mol. IUPAC: 4-[(4aS,5S,9bS)-7-methoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl]aniline.
Chemical Property Profile of RefChem:1078166
Property Insights of RefChem:1078166
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078166. With a topological polar surface area (TPSA) of 47.3 Ų, RefChem:1078166 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078166 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:1078166?
The CAS number of RefChem:1078166 is 88823-40-9.
What is the molecular formula of RefChem:1078166?
The molecular formula of RefChem:1078166 is C19H22N2O.
What is the molecular weight of RefChem:1078166?
The molecular weight of RefChem:1078166 is 294.17 g/mol.
Where can I buy RefChem:1078166?
You can request a quote for RefChem:1078166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078166?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.