D0H4JN
TL;DR: D0H4JN (CAS 141807-57-0) is a chemical compound with molecular formula C21H23Cl2NO2 and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl (2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Also Known As: RTI 113, RTI 4229-113, (1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Phenyl Ester Hydrochloride, [1R-(exo,exo)]-3-(4-Chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Phenyl Ester Hydrochloride, Phenyl (2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Hydrochloride
| Molecular Formula | C21H23Cl2NO2 |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 4.9337 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.1106 |
| Heavy Atoms | 26 |
| Complexity | 750.3662 |
Chemical Identifiers
| CAS Number | 141807-57-0 |
|---|---|
| SMILES | CN1C2CCC1[C@H]([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)OC4=CC=CC=C4.Cl |
Product Overview
D0H4JN (CAS 141807-57-0), with molecular formula C21H23Cl2NO2 and molecular weight 391.11 g/mol. IUPAC: phenyl (2S,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride.
Chemical Property Profile of D0H4JN
Property Insights of D0H4JN
The XLogP value of 4.9337 indicates that D0H4JN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, D0H4JN exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D0H4JN has 0 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 D0H4JN?
The CAS number of D0H4JN is 141807-57-0.
What is the molecular formula of D0H4JN?
The molecular formula of D0H4JN is C21H23Cl2NO2.
What is the molecular weight of D0H4JN?
The molecular weight of D0H4JN is 391.11 g/mol.
Where can I buy D0H4JN?
You can request a quote for D0H4JN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D0H4JN?
Yes, KEHONG BIO provides custom synthesis services for D0H4JN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.