DDS1_006827
TL;DR: DDS1_006827 (CAS 6082-85-5) is a chemical compound with molecular formula C24H33N3O6 and molecular weight 459.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
Also Known As: DDS1_006827, 4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide, 4-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
| Molecular Formula | C24H33N3O6 |
|---|---|
| Molecular Weight | 459.24 g/mol |
| LogP | 1.75002 |
| Topological Polar Surface Area | 103.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 459.23694 |
| Heavy Atoms | 33 |
| Complexity | 1011.19714 |
Chemical Identifiers
| CAS Number | 6082-85-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3CC(OC(=C3)C(=O)NCCOC)OCCCCO |
Product Overview
DDS1_006827 (CAS 6082-85-5), with molecular formula C24H33N3O6 and molecular weight 459.24 g/mol. IUPAC: 4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
Chemical Property Profile of DDS1_006827
Property Insights of DDS1_006827
The XLogP value of 1.75002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DDS1_006827. The TPSA of 103.95 Ų falls within the moderate polarity range, balancing permeability and solubility for DDS1_006827. Following Lipinski's Rule of Five, DDS1_006827 has 2 hydrogen bond donor(s) and 6 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 DDS1_006827?
The CAS number of DDS1_006827 is 6082-85-5.
What is the molecular formula of DDS1_006827?
The molecular formula of DDS1_006827 is C24H33N3O6.
What is the molecular weight of DDS1_006827?
The molecular weight of DDS1_006827 is 459.24 g/mol.
Where can I buy DDS1_006827?
You can request a quote for DDS1_006827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DDS1_006827?
Yes, KEHONG BIO provides custom synthesis services for DDS1_006827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.