2T-0244
TL;DR: 2T-0244 (CAS 439096-27-2) is a chemical compound with molecular formula C18H15BrN2O2S and molecular weight 402.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-(4-bromophenyl)-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl]acetate
Also Known As: 2T-0244, methyl 2-{[1-(4-bromophenyl)-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetate, methyl 2-[[1-(4-bromophenyl)-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl]acetate, methyl 2-{[1-(4-bromophenyl)-4-cyano-5H,6H,7H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetate, methyl2-{[1-(4-bromophenyl)-4-cyano-5H,6H,7H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetate
| Molecular Formula | C18H15BrN2O2S |
|---|---|
| Molecular Weight | 402.00 g/mol |
| LogP | 4.13658 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.00375 |
| Heavy Atoms | 24 |
| Complexity | 828.3929 |
Chemical Identifiers
| CAS Number | 439096-27-2 |
|---|---|
| SMILES | COC(=O)CSC1=C(C2=C(CCC2)C(=N1)C3=CC=C(C=C3)Br)C#N |
Product Overview
2T-0244 (CAS 439096-27-2), with molecular formula C18H15BrN2O2S and molecular weight 402.00 g/mol. IUPAC: methyl 2-[[1-(4-bromophenyl)-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl]acetate.
Chemical Property Profile of 2T-0244
Property Insights of 2T-0244
The XLogP value of 4.13658 indicates that 2T-0244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2T-0244. Following Lipinski's Rule of Five, 2T-0244 has 0 hydrogen bond donor(s) and 5 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 2T-0244?
The CAS number of 2T-0244 is 439096-27-2.
What is the molecular formula of 2T-0244?
The molecular formula of 2T-0244 is C18H15BrN2O2S.
What is the molecular weight of 2T-0244?
The molecular weight of 2T-0244 is 402.00 g/mol.
Where can I buy 2T-0244?
You can request a quote for 2T-0244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2T-0244?
Yes, KEHONG BIO provides custom synthesis services for 2T-0244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.