1045U85
TL;DR: 1045U85 (CAS 27215-38-9) is a chemical compound with molecular formula C20H24N2O4S and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(1S)-1-hydroxy-2-[[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methylamino]ethyl]phenyl]methanesulfonamide
Also Known As: 1045U85, 1045U85, (R,S)-, N-[4-[(1S)-1-hydroxy-2-[[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methylamino]ethyl]phenyl]methanesulfonamide, n-{4-[(1s)-1-hydroxy-2-({[(2r)-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl]methyl}amino)ethyl]phenyl}methanesulfonamide, (4'-1-Hydroxy-2-(((1,2,3,4-tetrahydro-1-oxo-2-naphthyl)methyl)amino)ethyl)methanesulfonanilide hydrochloride
| Molecular Formula | C20H24N2O4S |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.1457 |
| Heavy Atoms | 27 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 27215-38-9 |
|---|---|
| SMILES | CS(=O)(=O)NC1=CC=C(C=C1)[C@@H](CNC[C@H]2CCC3=CC=CC=C3C2=O)O |
| InChIKey | GHACVBCUANDNID-VQIMIIECSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1045U85 (CAS 27215-38-9), with molecular formula C20H24N2O4S and molecular weight 388.15 g/mol. IUPAC: N-[4-[(1S)-1-hydroxy-2-[[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methylamino]ethyl]phenyl]methanesulfonamide.
Chemical Property Profile of 1045U85
Property Insights of 1045U85
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1045U85. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1045U85. Following Lipinski's Rule of Five, 1045U85 has 3 hydrogen bond donor(s) and 6 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 1045U85?
The CAS number of 1045U85 is 27215-38-9.
What is the molecular formula of 1045U85?
The molecular formula of 1045U85 is C20H24N2O4S.
What is the molecular weight of 1045U85?
The molecular weight of 1045U85 is 388.15 g/mol.
Where can I buy 1045U85?
You can request a quote for 1045U85 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1045U85?
Yes, KEHONG BIO provides custom synthesis services for 1045U85 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.