A3598/0152435
TL;DR: A3598/0152435 (CAS 573930-72-0) is a chemical compound with molecular formula C23H25N5O3S and molecular weight 451.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: A3598/0152435, 1-(2-METHOXY-5-{6-METHYL-[1,2,4]TRIAZOLO[3,4-A]PHTHALAZIN-3-YL}BENZENESULFONYL)-4-METHYLPIPERIDINE, 3-(4-methoxy-3-((4-methylpiperidin-1-yl)sulfonyl)phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine, 3-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine, 3-{4-methoxy-3-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C23H25N5O3S |
|---|---|
| Molecular Weight | 451.17 g/mol |
| LogP | 3.68212 |
| Topological Polar Surface Area | 89.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.16782 |
| Heavy Atoms | 32 |
| Complexity | 1422.6226 |
Chemical Identifiers
| CAS Number | 573930-72-0 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C3=NN=C4N3N=C(C5=CC=CC=C54)C)OC |
Product Overview
A3598/0152435 (CAS 573930-72-0), with molecular formula C23H25N5O3S and molecular weight 451.17 g/mol. IUPAC: 3-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of A3598/0152435
Property Insights of A3598/0152435
The XLogP value of 3.68212 indicates that A3598/0152435 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.69 Ų falls within the moderate polarity range, balancing permeability and solubility for A3598/0152435. Following Lipinski's Rule of Five, A3598/0152435 has 0 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 A3598/0152435?
The CAS number of A3598/0152435 is 573930-72-0.
What is the molecular formula of A3598/0152435?
The molecular formula of A3598/0152435 is C23H25N5O3S.
What is the molecular weight of A3598/0152435?
The molecular weight of A3598/0152435 is 451.17 g/mol.
Where can I buy A3598/0152435?
You can request a quote for A3598/0152435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3598/0152435?
Yes, KEHONG BIO provides custom synthesis services for A3598/0152435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.