BAS 02229072
TL;DR: BAS 02229072 (CAS 363591-62-2) is a chemical compound with molecular formula C17H22N6O3S2 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(azepan-1-ylsulfonyl)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: BAS 02229072, AN-329/40528646, (4E)-4-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide, (4Z)-4-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide, 4-{[4-(1-azepanylsulfonyl)phenyl]hydrazono}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C17H22N6O3S2 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 2.55662 |
| Topological Polar Surface Area | 125.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.11948 |
| Heavy Atoms | 28 |
| Complexity | 1045.5521 |
Chemical Identifiers
| CAS Number | 363591-62-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C(=S)N)N=NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 |
Product Overview
BAS 02229072 (CAS 363591-62-2), with molecular formula C17H22N6O3S2 and molecular weight 422.12 g/mol. IUPAC: 4-[[4-(azepan-1-ylsulfonyl)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of BAS 02229072
Property Insights of BAS 02229072
The XLogP value of 2.55662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02229072. The TPSA of 125.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02229072. Following Lipinski's Rule of Five, BAS 02229072 has 2 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 BAS 02229072?
The CAS number of BAS 02229072 is 363591-62-2.
What is the molecular formula of BAS 02229072?
The molecular formula of BAS 02229072 is C17H22N6O3S2.
What is the molecular weight of BAS 02229072?
The molecular weight of BAS 02229072 is 422.12 g/mol.
Where can I buy BAS 02229072?
You can request a quote for BAS 02229072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02229072?
Yes, KEHONG BIO provides custom synthesis services for BAS 02229072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.