ChemDiv3_003397
TL;DR: ChemDiv3_003397 (CAS 442523-89-9) is a chemical compound with molecular formula C18H18N6OS and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-5-oxo-4-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: ChemDiv3_003397, IDI1_021307, AN-919/40736626, BRD-A86737147-001-01-3, 2-amino-7,7-dimethyl-5-oxo-4-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C18H18N6OS |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 2.80708 |
| Topological Polar Surface Area | 111.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.12628 |
| Heavy Atoms | 26 |
| Complexity | 961.9985 |
Chemical Identifiers
| CAS Number | 442523-89-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CSC=C4)C(=O)C1)C |
Product Overview
ChemDiv3_003397 (CAS 442523-89-9), with molecular formula C18H18N6OS and molecular weight 366.13 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-4-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv3_003397
Property Insights of ChemDiv3_003397
The XLogP value of 2.80708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003397. The TPSA of 111.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003397. Following Lipinski's Rule of Five, ChemDiv3_003397 has 2 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 ChemDiv3_003397?
The CAS number of ChemDiv3_003397 is 442523-89-9.
What is the molecular formula of ChemDiv3_003397?
The molecular formula of ChemDiv3_003397 is C18H18N6OS.
What is the molecular weight of ChemDiv3_003397?
The molecular weight of ChemDiv3_003397 is 366.13 g/mol.
Where can I buy ChemDiv3_003397?
You can request a quote for ChemDiv3_003397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003397?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.