Rti(-4229)-353
TL;DR: Rti(-4229)-353 (CAS 198990-83-9) is a chemical compound with molecular formula C17H22INO2 and molecular weight 399.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3S,5S)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Rti(-4229)-353, Methyl (1R,2S,3S,5S)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo(3.2.1)octane-2-carboxylate, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-ethyl-3-iodophenyl)-, methyl ester, (1R,2S,3S,5S)-, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-ethyl-3-iodophenyl)-, methyl ester, (1R-(exo,exo))-, Methyl (1R,2S,3S,5S)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
| Molecular Formula | C17H22INO2 |
|---|---|
| Molecular Weight | 399.07 g/mol |
| LogP | 3.2507 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.06952 |
| Heavy Atoms | 21 |
| Complexity | 545.5917 |
Chemical Identifiers
| CAS Number | 198990-83-9 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3)I |
Product Overview
Rti(-4229)-353 (CAS 198990-83-9), with molecular formula C17H22INO2 and molecular weight 399.07 g/mol. IUPAC: methyl (1R,2S,3S,5S)-3-(4-ethyl-3-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of Rti(-4229)-353
Property Insights of Rti(-4229)-353
The XLogP value of 3.2507 indicates that Rti(-4229)-353 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Rti(-4229)-353 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rti(-4229)-353 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 Rti(-4229)-353?
The CAS number of Rti(-4229)-353 is 198990-83-9.
What is the molecular formula of Rti(-4229)-353?
The molecular formula of Rti(-4229)-353 is C17H22INO2.
What is the molecular weight of Rti(-4229)-353?
The molecular weight of Rti(-4229)-353 is 399.07 g/mol.
Where can I buy Rti(-4229)-353?
You can request a quote for Rti(-4229)-353 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rti(-4229)-353?
Yes, KEHONG BIO provides custom synthesis services for Rti(-4229)-353 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.