ChemDiv1_005129
TL;DR: ChemDiv1_005129 (CAS 396721-56-5) is a chemical compound with molecular formula C18H12BrClN4O3S and molecular weight 477.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-chloro-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_005129, F0778-0177, 5-bromo-2-chloro-N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 5-bromo-2-chloro-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]benzamide, 5-bromo-2-chloro-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C18H12BrClN4O3S |
|---|---|
| Molecular Weight | 477.95 g/mol |
| LogP | 5.1955 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.9502 |
| Heavy Atoms | 28 |
| Complexity | 1100.9553 |
Chemical Identifiers
| CAS Number | 396721-56-5 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=C(C=CC(=C4)Br)Cl |
Product Overview
ChemDiv1_005129 (CAS 396721-56-5), with molecular formula C18H12BrClN4O3S and molecular weight 477.95 g/mol. IUPAC: 5-bromo-2-chloro-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_005129
Property Insights of ChemDiv1_005129
The XLogP value of 5.1955 indicates that ChemDiv1_005129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005129. Following Lipinski's Rule of Five, ChemDiv1_005129 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005129?
The CAS number of ChemDiv1_005129 is 396721-56-5.
What is the molecular formula of ChemDiv1_005129?
The molecular formula of ChemDiv1_005129 is C18H12BrClN4O3S.
What is the molecular weight of ChemDiv1_005129?
The molecular weight of ChemDiv1_005129 is 477.95 g/mol.
Where can I buy ChemDiv1_005129?
You can request a quote for ChemDiv1_005129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005129?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.