DivK1c_004678
TL;DR: DivK1c_004678 (CAS 348577-95-7) is a chemical compound with molecular formula C22H13ClN4O5S and molecular weight 480.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: DivK1c_004678, CDS1_003638, 1-(4-chlorophenyl)-5-(4-((5-nitropyridin-2-yl)oxy)benzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(4-chlorophenyl)-5-[[4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C22H13ClN4O5S |
|---|---|
| Molecular Weight | 480.03 g/mol |
| LogP | 4.2668 |
| Topological Polar Surface Area | 114.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.0295 |
| Heavy Atoms | 33 |
| Complexity | 1291.8713 |
Chemical Identifiers
| CAS Number | 348577-95-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)OC4=NC=C(C=C4)[N+](=O)[O-] |
Product Overview
DivK1c_004678 (CAS 348577-95-7), with molecular formula C22H13ClN4O5S and molecular weight 480.03 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of DivK1c_004678
Property Insights of DivK1c_004678
The XLogP value of 4.2668 indicates that DivK1c_004678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.67 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_004678. Following Lipinski's Rule of Five, DivK1c_004678 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DivK1c_004678?
The CAS number of DivK1c_004678 is 348577-95-7.
What is the molecular formula of DivK1c_004678?
The molecular formula of DivK1c_004678 is C22H13ClN4O5S.
What is the molecular weight of DivK1c_004678?
The molecular weight of DivK1c_004678 is 480.03 g/mol.
Where can I buy DivK1c_004678?
You can request a quote for DivK1c_004678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_004678?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_004678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.