ChemDiv1_027851
TL;DR: ChemDiv1_027851 (CAS 496862-32-9) is a chemical compound with molecular formula C18H27N3O2 and molecular weight 317.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-(3-hydroxypropylamino)ethanone
Also Known As: ChemDiv1_027851, 1-((4aS,9bR)-2,8-dimethyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indol-5(9bH)-yl)-2-((3-hydroxypropyl)amino)ethanone, 1-[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl]-2-[(3-hydroxypropyl)amino]ethanone, 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-(3-hydroxypropylamino)ethanone, 3-{[2-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-oxoethyl]amino}-1-propanol
| Molecular Formula | C18H27N3O2 |
|---|---|
| Molecular Weight | 317.21 g/mol |
| LogP | 1.10132 |
| Topological Polar Surface Area | 55.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.21033 |
| Heavy Atoms | 23 |
| Complexity | 575.3852 |
Chemical Identifiers
| CAS Number | 496862-32-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)CNCCCO |
Product Overview
ChemDiv1_027851 (CAS 496862-32-9), with molecular formula C18H27N3O2 and molecular weight 317.21 g/mol. IUPAC: 1-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-(3-hydroxypropylamino)ethanone.
Chemical Property Profile of ChemDiv1_027851
Property Insights of ChemDiv1_027851
The XLogP value of 1.10132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_027851. With a topological polar surface area (TPSA) of 55.81 Ų, ChemDiv1_027851 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_027851 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 ChemDiv1_027851?
The CAS number of ChemDiv1_027851 is 496862-32-9.
What is the molecular formula of ChemDiv1_027851?
The molecular formula of ChemDiv1_027851 is C18H27N3O2.
What is the molecular weight of ChemDiv1_027851?
The molecular weight of ChemDiv1_027851 is 317.21 g/mol.
Where can I buy ChemDiv1_027851?
You can request a quote for ChemDiv1_027851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027851?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.