AT-057/43319620
TL;DR: AT-057/43319620 (CAS 524675-56-7) is a chemical compound with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
Also Known As: AT-057/43319620, 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone, 3,4-dihydroisoquinolin-2(1H)-yl{1-[(4-nitrophenyl)sulfonyl]piperidin-3-yl}methanone, 2-({1-[(4-nitrophenyl)sulfonyl]-3-piperidinyl}carbonyl)-1,2,3,4-tetrahydroisoquinoline, 2-[1-(4-NITROBENZENESULFONYL)PIPERIDINE-3-CARBONYL]-3,4-DIHYDRO-1H-ISOQUINOLINE
| Molecular Formula | C21H23N3O5S |
|---|---|
| Molecular Weight | 429.14 g/mol |
| LogP | 2.5804 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.13583 |
| Heavy Atoms | 30 |
| Complexity | 1068.3043 |
Chemical Identifiers
| CAS Number | 524675-56-7 |
|---|---|
| SMILES | C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
AT-057/43319620 (CAS 524675-56-7), with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone.
Chemical Property Profile of AT-057/43319620
Property Insights of AT-057/43319620
The XLogP value of 2.5804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AT-057/43319620. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/43319620. Following Lipinski's Rule of Five, AT-057/43319620 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 AT-057/43319620?
The CAS number of AT-057/43319620 is 524675-56-7.
What is the molecular formula of AT-057/43319620?
The molecular formula of AT-057/43319620 is C21H23N3O5S.
What is the molecular weight of AT-057/43319620?
The molecular weight of AT-057/43319620 is 429.14 g/mol.
Where can I buy AT-057/43319620?
You can request a quote for AT-057/43319620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43319620?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43319620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.