A1165/0054313
TL;DR: A1165/0054313 (CAS 340692-06-0) is a chemical compound with molecular formula C31H31N5O4S2 and molecular weight 601.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
Also Known As: A1165/0054313, 2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole, 1-({4-[2-(3-(2,5-dimethylphenyl)-5-{3-nitrophenyl}-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl}sulfonyl)piperidine, 1-(4-{2-[3-(2,5-DIMETHYLPHENYL)-5-(3-NITROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-1,3-THIAZOL-4-YL}BENZENESULFONYL)PIPERIDINE, 1-[(4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl)sulfonyl]piperidine
| Molecular Formula | C31H31N5O4S2 |
|---|---|
| Molecular Weight | 601.18 g/mol |
| LogP | 6.86544 |
| Topological Polar Surface Area | 109.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 601.18176 |
| Heavy Atoms | 42 |
| Complexity | 1777.0201 |
Chemical Identifiers
| CAS Number | 340692-06-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC(=CS4)C5=CC=C(C=C5)S(=O)(=O)N6CCCCC6 |
Product Overview
A1165/0054313 (CAS 340692-06-0), with molecular formula C31H31N5O4S2 and molecular weight 601.18 g/mol. IUPAC: 2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole.
Chemical Property Profile of A1165/0054313
Property Insights of A1165/0054313
The XLogP value of 6.86544 indicates that A1165/0054313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.01 Ų falls within the moderate polarity range, balancing permeability and solubility for A1165/0054313. Following Lipinski's Rule of Five, A1165/0054313 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1165/0054313?
The CAS number of A1165/0054313 is 340692-06-0.
What is the molecular formula of A1165/0054313?
The molecular formula of A1165/0054313 is C31H31N5O4S2.
What is the molecular weight of A1165/0054313?
The molecular weight of A1165/0054313 is 601.18 g/mol.
Where can I buy A1165/0054313?
You can request a quote for A1165/0054313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1165/0054313?
Yes, KEHONG BIO provides custom synthesis services for A1165/0054313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.