A4075/0173658
TL;DR: A4075/0173658 (CAS 881597-85-9) is a chemical compound with molecular formula C33H44N6O6S2 and molecular weight 684.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[4-[4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)phenyl]sulfonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]-1,5-dimethyl-4-propan-2-ylpyrazol-3-one
Also Known As: A4075/0173658, 2-[4-[[4-[4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)phenyl]sulfonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]-1,5-dimethyl-4-propan-2-ylpyrazol-3-one, 2,2'-[1,4-diazepane-1,4-diylbis(sulfonyl-4,1-phenylene)]bis(4-isopropyl-1,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one), 2,2'-[1,4-diazepane-1,4-diylbis(sulfonylbenzene-4,1-diyl)]bis[1,5-dimethyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one], 2-{4-[(4-{4-[2,3-DIMETHYL-5-OXO-4-(PROPAN-2-YL)-2,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZENESULFONYL}-1,4-DIAZEPAN-1-YL)SULFONYL]PHENYL}-1,5-DIMETHYL-4-(PROPAN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-3-ONE
| Molecular Formula | C33H44N6O6S2 |
|---|---|
| Molecular Weight | 684.28 g/mol |
| LogP | 3.61434 |
| Topological Polar Surface Area | 128.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 684.27637 |
| Heavy Atoms | 47 |
| Complexity | 1982.2554 |
Chemical Identifiers
| CAS Number | 881597-85-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)N5C(=O)C(=C(N5C)C)C(C)C)C(C)C |
Product Overview
A4075/0173658 (CAS 881597-85-9), with molecular formula C33H44N6O6S2 and molecular weight 684.28 g/mol. IUPAC: 2-[4-[[4-[4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)phenyl]sulfonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]-1,5-dimethyl-4-propan-2-ylpyrazol-3-one.
Chemical Property Profile of A4075/0173658
Property Insights of A4075/0173658
The XLogP value of 3.61434 indicates that A4075/0173658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.62 Ų falls within the moderate polarity range, balancing permeability and solubility for A4075/0173658. Following Lipinski's Rule of Five, A4075/0173658 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4075/0173658?
The CAS number of A4075/0173658 is 881597-85-9.
What is the molecular formula of A4075/0173658?
The molecular formula of A4075/0173658 is C33H44N6O6S2.
What is the molecular weight of A4075/0173658?
The molecular weight of A4075/0173658 is 684.28 g/mol.
Where can I buy A4075/0173658?
You can request a quote for A4075/0173658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4075/0173658?
Yes, KEHONG BIO provides custom synthesis services for A4075/0173658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.