BAS 05990852
TL;DR: BAS 05990852 (CAS 444784-02-5) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 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-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
Also Known As: BAS 05990852, AH-487/41182924, BRD-K04754982-001-09-6, 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone, 2-({1-[(4-methoxyphenyl)sulfonyl]piperidin-4-yl}carbonyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 2.6808 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 980.1268 |
Chemical Identifiers
| CAS Number | 444784-02-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
BAS 05990852 (CAS 444784-02-5), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone.
Chemical Property Profile of BAS 05990852
Property Insights of BAS 05990852
The XLogP value of 2.6808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05990852. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05990852. Following Lipinski's Rule of Five, BAS 05990852 has 0 hydrogen bond donor(s) and 4 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 BAS 05990852?
The CAS number of BAS 05990852 is 444784-02-5.
What is the molecular formula of BAS 05990852?
The molecular formula of BAS 05990852 is C22H26N2O4S.
What is the molecular weight of BAS 05990852?
The molecular weight of BAS 05990852 is 414.16 g/mol.
Where can I buy BAS 05990852?
You can request a quote for BAS 05990852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05990852?
Yes, KEHONG BIO provides custom synthesis services for BAS 05990852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.