AN-604/13239022
TL;DR: AN-604/13239022 (CAS 330202-91-0) is a chemical compound with molecular formula C17H13ClN6O4 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: AN-604/13239022, 4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone, 4-[(7-chloro-4-nitro-benzofurazan-5-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one
| Molecular Formula | C17H13ClN6O4 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 3.32582 |
| Topological Polar Surface Area | 121.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0687 |
| Heavy Atoms | 28 |
| Complexity | 1274.5277 |
Chemical Identifiers
| CAS Number | 330202-91-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)Cl)[N+](=O)[O-] |
Product Overview
AN-604/13239022 (CAS 330202-91-0), with molecular formula C17H13ClN6O4 and molecular weight 400.07 g/mol. IUPAC: 4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of AN-604/13239022
Property Insights of AN-604/13239022
The XLogP value of 3.32582 indicates that AN-604/13239022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-604/13239022. Following Lipinski's Rule of Five, AN-604/13239022 has 1 hydrogen bond donor(s) and 7 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-604/13239022?
The CAS number of AN-604/13239022 is 330202-91-0.
What is the molecular formula of AN-604/13239022?
The molecular formula of AN-604/13239022 is C17H13ClN6O4.
What is the molecular weight of AN-604/13239022?
The molecular weight of AN-604/13239022 is 400.07 g/mol.
Where can I buy AN-604/13239022?
You can request a quote for AN-604/13239022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-604/13239022?
Yes, KEHONG BIO provides custom synthesis services for AN-604/13239022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.