ChemDiv3_001397
TL;DR: ChemDiv3_001397 (CAS 342398-74-7) is a chemical compound with molecular formula C18H18N2OS and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methylfuran-2-yl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv3_001397, IDI1_020363, 4-(5-methylfuran-2-yl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, AE-848/37018143, 2-(allylsulfanyl)-4-(5-methyl-2-furyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
| Molecular Formula | C18H18N2OS |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.6786 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.11398 |
| Heavy Atoms | 22 |
| Complexity | 755.17816 |
Chemical Identifiers
| CAS Number | 342398-74-7 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC=C)C#N |
Product Overview
ChemDiv3_001397 (CAS 342398-74-7), with molecular formula C18H18N2OS and molecular weight 310.11 g/mol. IUPAC: 4-(5-methylfuran-2-yl)-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv3_001397
Property Insights of ChemDiv3_001397
The XLogP value of 4.6786 indicates that ChemDiv3_001397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.82 Ų, ChemDiv3_001397 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_001397 has 0 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 ChemDiv3_001397?
The CAS number of ChemDiv3_001397 is 342398-74-7.
What is the molecular formula of ChemDiv3_001397?
The molecular formula of ChemDiv3_001397 is C18H18N2OS.
What is the molecular weight of ChemDiv3_001397?
The molecular weight of ChemDiv3_001397 is 310.11 g/mol.
Where can I buy ChemDiv3_001397?
You can request a quote for ChemDiv3_001397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001397?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.