2T-0312
TL;DR: 2T-0312 (CAS 439096-60-3) is a chemical compound with molecular formula C22H17BrN2S and molecular weight 420.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-1-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: 2T-0312, 3-(benzylsulfanyl)-1-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-(benzylsulfanyl)-1-(4-bromophenyl)-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile, 3-benzylsulfanyl-1-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 4-benzylsulfanyl-2-(4-bromophenyl)-3-azabicyclo[4.3.0]nona-2,4,10-triene-5-carbonitrile
| Molecular Formula | C22H17BrN2S |
|---|---|
| Molecular Weight | 420.03 g/mol |
| LogP | 6.16378 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.02957 |
| Heavy Atoms | 26 |
| Complexity | 975.76434 |
Chemical Identifiers
| CAS Number | 439096-60-3 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC(=C2C#N)SCC3=CC=CC=C3)C4=CC=C(C=C4)Br |
Product Overview
2T-0312 (CAS 439096-60-3), with molecular formula C22H17BrN2S and molecular weight 420.03 g/mol. IUPAC: 3-benzylsulfanyl-1-(4-bromophenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 2T-0312
Property Insights of 2T-0312
The XLogP value of 6.16378 indicates that 2T-0312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2T-0312 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2T-0312 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2T-0312?
The CAS number of 2T-0312 is 439096-60-3.
What is the molecular formula of 2T-0312?
The molecular formula of 2T-0312 is C22H17BrN2S.
What is the molecular weight of 2T-0312?
The molecular weight of 2T-0312 is 420.03 g/mol.
Where can I buy 2T-0312?
You can request a quote for 2T-0312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2T-0312?
Yes, KEHONG BIO provides custom synthesis services for 2T-0312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.