DivK1c_006034
TL;DR: DivK1c_006034 (CAS 680615-80-9) is a chemical compound with molecular formula C23H23ClN4O4 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
Also Known As: DivK1c_006034, CDS1_004994, BIM-0036615.P001, AB01308310-01, A2570/0109572
| Molecular Formula | C23H23ClN4O4 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 3.75744 |
| Topological Polar Surface Area | 115.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.14078 |
| Heavy Atoms | 32 |
| Complexity | 1310.5713 |
Chemical Identifiers
| CAS Number | 680615-80-9 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC)C4=C(NNC4=O)C |
Product Overview
DivK1c_006034 (CAS 680615-80-9), with molecular formula C23H23ClN4O4 and molecular weight 454.14 g/mol. IUPAC: 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one.
Chemical Property Profile of DivK1c_006034
Property Insights of DivK1c_006034
The XLogP value of 3.75744 indicates that DivK1c_006034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.76 Ų falls within the moderate polarity range, balancing permeability and solubility for DivK1c_006034. Following Lipinski's Rule of Five, DivK1c_006034 has 4 hydrogen bond donor(s) and 4 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_006034?
The CAS number of DivK1c_006034 is 680615-80-9.
What is the molecular formula of DivK1c_006034?
The molecular formula of DivK1c_006034 is C23H23ClN4O4.
What is the molecular weight of DivK1c_006034?
The molecular weight of DivK1c_006034 is 454.14 g/mol.
Where can I buy DivK1c_006034?
You can request a quote for DivK1c_006034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DivK1c_006034?
Yes, KEHONG BIO provides custom synthesis services for DivK1c_006034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.