AN-329/40210028
TL;DR: AN-329/40210028 (CAS 314758-12-8) is a chemical compound with molecular formula C16H10Cl2N6O3S and molecular weight 435.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide
Also Known As: AN-329/40210028, 4-({2,6-dichloro-4-nitrophenyl}hydrazono)-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4E)-4-[(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide, 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide, 4-[(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide
| Molecular Formula | C16H10Cl2N6O3S |
|---|---|
| Molecular Weight | 435.99 g/mol |
| LogP | 4.5655 |
| Topological Polar Surface Area | 131.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.9912 |
| Heavy Atoms | 28 |
| Complexity | 1149.8629 |
Chemical Identifiers
| CAS Number | 314758-12-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)N(N2)C(=S)N)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl |
Product Overview
AN-329/40210028 (CAS 314758-12-8), with molecular formula C16H10Cl2N6O3S and molecular weight 435.99 g/mol. IUPAC: 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of AN-329/40210028
Property Insights of AN-329/40210028
The XLogP value of 4.5655 indicates that AN-329/40210028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40210028. Following Lipinski's Rule of Five, AN-329/40210028 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-329/40210028?
The CAS number of AN-329/40210028 is 314758-12-8.
What is the molecular formula of AN-329/40210028?
The molecular formula of AN-329/40210028 is C16H10Cl2N6O3S.
What is the molecular weight of AN-329/40210028?
The molecular weight of AN-329/40210028 is 435.99 g/mol.
Where can I buy AN-329/40210028?
You can request a quote for AN-329/40210028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40210028?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40210028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.