A3396/0144088
TL;DR: A3396/0144088 (CAS 521327-98-0) is a chemical compound with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(3-propan-2-yloxypropyl)carbonimidoyl]-1H-pyrazol-3-one
Also Known As: A3396/0144088, (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-{[3-(propan-2-yloxy)propyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(3-propan-2-yloxypropylamino)ethylidene]pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(3-propan-2-yloxypropylamino)ethylidene]pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3-isopropoxypropyl)amino)ethylidene)-3-methyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C19H24N4O2S |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 3.70782 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.162 |
| Heavy Atoms | 26 |
| Complexity | 947.999 |
Chemical Identifiers
| CAS Number | 521327-98-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(=NCCCOC(C)C)C |
Product Overview
A3396/0144088 (CAS 521327-98-0), with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(3-propan-2-yloxypropyl)carbonimidoyl]-1H-pyrazol-3-one.
Chemical Property Profile of A3396/0144088
Property Insights of A3396/0144088
The XLogP value of 3.70782 indicates that A3396/0144088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for A3396/0144088. Following Lipinski's Rule of Five, A3396/0144088 has 1 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 A3396/0144088?
The CAS number of A3396/0144088 is 521327-98-0.
What is the molecular formula of A3396/0144088?
The molecular formula of A3396/0144088 is C19H24N4O2S.
What is the molecular weight of A3396/0144088?
The molecular weight of A3396/0144088 is 372.16 g/mol.
Where can I buy A3396/0144088?
You can request a quote for A3396/0144088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3396/0144088?
Yes, KEHONG BIO provides custom synthesis services for A3396/0144088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.