J3.309.646A
TL;DR: J3.309.646A (CAS 376348-71-9) is a chemical compound with molecular formula C22H33N5 and molecular weight 367.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropan-1-amine
Also Known As: J3.309.646A, (1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine, AS,1, A,3-exo,3, A,5
| Molecular Formula | C22H33N5 |
|---|---|
| Molecular Weight | 367.27 g/mol |
| LogP | 3.96792 |
| Topological Polar Surface Area | 59.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.2736 |
| Heavy Atoms | 27 |
| Complexity | 739.31854 |
Chemical Identifiers
| CAS Number | 376348-71-9 |
|---|---|
| SMILES | CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CC=C4)N)C(C)C |
Product Overview
J3.309.646A (CAS 376348-71-9), with molecular formula C22H33N5 and molecular weight 367.27 g/mol. IUPAC: (1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropan-1-amine.
Chemical Property Profile of J3.309.646A
Property Insights of J3.309.646A
The XLogP value of 3.96792 indicates that J3.309.646A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.97 Ų, J3.309.646A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.309.646A has 1 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 J3.309.646A?
The CAS number of J3.309.646A is 376348-71-9.
What is the molecular formula of J3.309.646A?
The molecular formula of J3.309.646A is C22H33N5.
What is the molecular weight of J3.309.646A?
The molecular weight of J3.309.646A is 367.27 g/mol.
Where can I buy J3.309.646A?
You can request a quote for J3.309.646A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.309.646A?
Yes, KEHONG BIO provides custom synthesis services for J3.309.646A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.