ChemDiv1_005043
TL;DR: ChemDiv1_005043 (CAS 396722-85-3) is a chemical compound with molecular formula C23H23N5O5S2 and molecular weight 513.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
Also Known As: ChemDiv1_005043, F0778-0291, N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-4-(piperidine-1-sulfonyl)benzamide, N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide, N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-(piperidin-1-ylsulfonyl)benzamide
| Molecular Formula | C23H23N5O5S2 |
|---|---|
| Molecular Weight | 513.11 g/mol |
| LogP | 3.9542 |
| Topological Polar Surface Area | 127.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.1141 |
| Heavy Atoms | 35 |
| Complexity | 1378.9053 |
Chemical Identifiers
| CAS Number | 396722-85-3 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4CSCC4=NN3C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_005043 (CAS 396722-85-3), with molecular formula C23H23N5O5S2 and molecular weight 513.11 g/mol. IUPAC: N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide.
Chemical Property Profile of ChemDiv1_005043
Property Insights of ChemDiv1_005043
The XLogP value of 3.9542 indicates that ChemDiv1_005043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005043. Following Lipinski's Rule of Five, ChemDiv1_005043 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005043?
The CAS number of ChemDiv1_005043 is 396722-85-3.
What is the molecular formula of ChemDiv1_005043?
The molecular formula of ChemDiv1_005043 is C23H23N5O5S2.
What is the molecular weight of ChemDiv1_005043?
The molecular weight of ChemDiv1_005043 is 513.11 g/mol.
Where can I buy ChemDiv1_005043?
You can request a quote for ChemDiv1_005043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005043?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.