2J-931
TL;DR: 2J-931 (CAS 338772-69-3) is a chemical compound with molecular formula C30H31N3O and molecular weight 449.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'-benzylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-(4-methylphenyl)methanone
Also Known As: 2J-931, Spiro-[N-benzylpiperidine-4',1-(1,2,3,4-tetrahydro-beta-carboline(4-methylbenzamide))], (1'-benzylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-(4-methylphenyl)methanone, (1-Benzyl-4',9'-dihydrospiro[piperidine-4,1'-pyrido[3,4-b]indol]-2'(3'H)-yl)(p-tolyl)methanone, 1-benzyl-2'-(4-methylbenzoyl)-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole]
| Molecular Formula | C30H31N3O |
|---|---|
| Molecular Weight | 449.25 g/mol |
| LogP | 5.66612 |
| Topological Polar Surface Area | 39.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.2467 |
| Heavy Atoms | 34 |
| Complexity | 1314.4415 |
Chemical Identifiers
| CAS Number | 338772-69-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCC3=C(C24CCN(CC4)CC5=CC=CC=C5)NC6=CC=CC=C36 |
Product Overview
2J-931 (CAS 338772-69-3), with molecular formula C30H31N3O and molecular weight 449.25 g/mol. IUPAC: (1'-benzylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-(4-methylphenyl)methanone.
Chemical Property Profile of 2J-931
Property Insights of 2J-931
The XLogP value of 5.66612 indicates that 2J-931 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.34 Ų, 2J-931 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2J-931 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2J-931?
The CAS number of 2J-931 is 338772-69-3.
What is the molecular formula of 2J-931?
The molecular formula of 2J-931 is C30H31N3O.
What is the molecular weight of 2J-931?
The molecular weight of 2J-931 is 449.25 g/mol.
Where can I buy 2J-931?
You can request a quote for 2J-931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-931?
Yes, KEHONG BIO provides custom synthesis services for 2J-931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.