BAS 01257396
TL;DR: BAS 01257396 (CAS 337341-52-3) is a chemical compound with molecular formula C21H29N5OS and molecular weight 399.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-[3-(diethylamino)propyliminomethyl]-5-propyl-1H-pyrazol-3-one
Also Known As: BAS 01257396, (E)-2-(benzo[d]thiazol-2-yl)-4-(((3-(diethylamino)propyl)imino)methyl)-5-propyl-1H-pyrazol-3(2H)-one, 2-(1,3-Benzothiazol-2-yl)-4-[3-(diethylamino)propyliminomethyl]-5-propyl-1H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-({[3-(diethylamino)propyl]amino}methylidene)-5-propyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(diethylamino)propylamino]methylidene]-5-propylpyrazol-3-one
| Molecular Formula | C21H29N5OS |
|---|---|
| Molecular Weight | 399.21 g/mol |
| LogP | 3.8786 |
| Topological Polar Surface Area | 66.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 399.2093 |
| Heavy Atoms | 28 |
| Complexity | 947.25586 |
Chemical Identifiers
| CAS Number | 337341-52-3 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCCCN(CC)CC |
Product Overview
BAS 01257396 (CAS 337341-52-3), with molecular formula C21H29N5OS and molecular weight 399.21 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[3-(diethylamino)propyliminomethyl]-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01257396
Property Insights of BAS 01257396
The XLogP value of 3.8786 indicates that BAS 01257396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01257396. Following Lipinski's Rule of Five, BAS 01257396 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 BAS 01257396?
The CAS number of BAS 01257396 is 337341-52-3.
What is the molecular formula of BAS 01257396?
The molecular formula of BAS 01257396 is C21H29N5OS.
What is the molecular weight of BAS 01257396?
The molecular weight of BAS 01257396 is 399.21 g/mol.
Where can I buy BAS 01257396?
You can request a quote for BAS 01257396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257396?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.