RefChem:239118
TL;DR: RefChem:239118 (CAS 98392-53-1) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,5R,7R,8R,9R)-N-[2-(1H-indol-3-yl)ethyl]-3,9-dimethoxy-11-methylidene-2,10-dioxatricyclo[5.3.1.03,8]undecan-5-amine
Also Known As: 1H-Indole-3-ethanamine, N-(hexahydro-4,8a-dimethoxy-9-methylene-2,5-methano-4H-1,3-benzodioxin-7-yl)-, (2-alpha,4-alpha,4a-beta,5-alpha,7-alpha,8a-beta)-, (1R,3S,4aR,6R,8S,8aR)-N-[2-(1H-Indol-3-yl)ethyl]-1,8-dimethoxy-4-methylideneoctahydro-1H-3,8-epoxy-2-benzopyran-6-amine, N-[2-(1H-Indol-3-yl)ethyl]-1,8-dimethoxy-4-methylideneoctahydro-1H-3,8-epoxy-2-benzopyran-6-amine, RefChem:239118
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 2.9527 |
| Topological Polar Surface Area | 64.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 880.2988 |
Chemical Identifiers
| CAS Number | 98392-53-1 |
|---|---|
| SMILES | CO[C@H]1[C@H]2[C@H]3C[C@H](C[C@@]2(O[C@@H](C3=C)O1)OC)NCCC4=CNC5=CC=CC=C54 |
Product Overview
RefChem:239118 (CAS 98392-53-1), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: (1S,3S,5R,7R,8R,9R)-N-[2-(1H-indol-3-yl)ethyl]-3,9-dimethoxy-11-methylidene-2,10-dioxatricyclo[5.3.1.03,8]undecan-5-amine.
Chemical Property Profile of RefChem:239118
Property Insights of RefChem:239118
The XLogP value of 2.9527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239118. The TPSA of 64.74 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239118. Following Lipinski's Rule of Five, RefChem:239118 has 2 hydrogen bond donor(s) and 5 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:239118?
The CAS number of RefChem:239118 is 98392-53-1.
What is the molecular formula of RefChem:239118?
The molecular formula of RefChem:239118 is C22H28N2O4.
What is the molecular weight of RefChem:239118?
The molecular weight of RefChem:239118 is 384.20 g/mol.
Where can I buy RefChem:239118?
You can request a quote for RefChem:239118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239118?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.