AN-329/40528649
TL;DR: AN-329/40528649 (CAS 363591-65-5) is a chemical compound with molecular formula C15H18N6O3S2 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)diazenyl]-1H-pyrazole-2-carbothioamide
Also Known As: AN-329/40528649, 3-methyl-5-oxo-4-{[4-(1-pyrrolidinylsulfonyl)phenyl]hydrazono}-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4Z)-3-methyl-5-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazole-1-carbothioamide, 5-methyl-3-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)diazenyl]-1H-pyrazole-2-carbothioamide, (4E)-3-methyl-5-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazole-1-carbothioamide
| Molecular Formula | C15H18N6O3S2 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 1.77642 |
| Topological Polar Surface Area | 125.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0882 |
| Heavy Atoms | 26 |
| Complexity | 1014.6414 |
Chemical Identifiers
| CAS Number | 363591-65-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C(=S)N)N=NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3 |
Product Overview
AN-329/40528649 (CAS 363591-65-5), with molecular formula C15H18N6O3S2 and molecular weight 394.09 g/mol. IUPAC: 5-methyl-3-oxo-4-[(4-pyrrolidin-1-ylsulfonylphenyl)diazenyl]-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of AN-329/40528649
Property Insights of AN-329/40528649
The XLogP value of 1.77642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/40528649. The TPSA of 125.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40528649. Following Lipinski's Rule of Five, AN-329/40528649 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 AN-329/40528649?
The CAS number of AN-329/40528649 is 363591-65-5.
What is the molecular formula of AN-329/40528649?
The molecular formula of AN-329/40528649 is C15H18N6O3S2.
What is the molecular weight of AN-329/40528649?
The molecular weight of AN-329/40528649 is 394.09 g/mol.
Where can I buy AN-329/40528649?
You can request a quote for AN-329/40528649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40528649?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40528649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.