DivK1c_004640
TL;DR: DivK1c_004640 (CAS 347379-29-7) is a chemical compound with molecular formula C26H20N2O5S and molecular weight 472.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
Also Known As: DivK1c_004640, CDS1_003600, 3-[(4-{(E)-[1-(2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid, 3-[[4-[[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
| Molecular Formula | C26H20N2O5S |
|---|---|
| Molecular Weight | 472.11 g/mol |
| LogP | 4.10352 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.10928 |
| Heavy Atoms | 34 |
| Complexity | 1331.0275 |
Chemical Identifiers
| CAS Number | 347379-29-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC(=CC=C4)C(=O)O)C(=O)NC2=S |
Product Overview
DivK1c_004640 (CAS 347379-29-7), with molecular formula C26H20N2O5S and molecular weight 472.11 g/mol. IUPAC: 3-[[4-[[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid.
Chemical Property Profile of DivK1c_004640
Property Insights of DivK1c_004640
The XLogP value of 4.10352 indicates that DivK1c_004640 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_004640. Following Lipinski's Rule of Five, DivK1c_004640 has 2 hydrogen bond donor(s) and 5 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_004640?
The CAS number of DivK1c_004640 is 347379-29-7.
What is the molecular formula of DivK1c_004640?
The molecular formula of DivK1c_004640 is C26H20N2O5S.
What is the molecular weight of DivK1c_004640?
The molecular weight of DivK1c_004640 is 472.11 g/mol.
Where can I buy DivK1c_004640?
You can request a quote for DivK1c_004640 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_004640?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_004640 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.