ChemDiv3_003293
TL;DR: ChemDiv3_003293 (CAS 442554-82-7) is a chemical compound with molecular formula C23H18BrN3O2S and molecular weight 479.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv3_003293, IDI1_021203, (2Z)-N-(4-bromophenyl)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide, BRD-A42108541-001-01-2, (Z)-N-(4-bromophenyl)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazinane-6-carboxamide
| Molecular Formula | C23H18BrN3O2S |
|---|---|
| Molecular Weight | 479.03 g/mol |
| LogP | 5.614 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.0303 |
| Heavy Atoms | 30 |
| Complexity | 1072.622 |
Chemical Identifiers
| CAS Number | 442554-82-7 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2)N(C1=O)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br |
Product Overview
ChemDiv3_003293 (CAS 442554-82-7), with molecular formula C23H18BrN3O2S and molecular weight 479.03 g/mol. IUPAC: N-(4-bromophenyl)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv3_003293
Property Insights of ChemDiv3_003293
The XLogP value of 5.614 indicates that ChemDiv3_003293 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003293. Following Lipinski's Rule of Five, ChemDiv3_003293 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_003293?
The CAS number of ChemDiv3_003293 is 442554-82-7.
What is the molecular formula of ChemDiv3_003293?
The molecular formula of ChemDiv3_003293 is C23H18BrN3O2S.
What is the molecular weight of ChemDiv3_003293?
The molecular weight of ChemDiv3_003293 is 479.03 g/mol.
Where can I buy ChemDiv3_003293?
You can request a quote for ChemDiv3_003293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003293?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.