9-(cyanomethyl)-9-(methylthio)fluorene
TL;DR: 9-(cyanomethyl)-9-(methylthio)fluorene (CAS 112270-44-7) is a chemical compound with molecular formula C23H32N2O3 and molecular weight 384.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[7-[4-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
Also Known As: 9-(cyanomethyl)-9-(methylthio)fluorene, Isoxazole, 5-(7-(4-((4R)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl)phenoxy)heptyl)-3-methyl-, (R)-5-(7-(4-(4-Isopropyl-4,5-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole, 5-[7-[4-[(4R)-4-isopropyl-4,5-dihydrooxazol-2-yl]phenoxy]heptyl]-3-methyl-isoxazole, 5-{7-[4-((R)-4-Isopropyl-4,5-dihydro-oxazol-2-yl)-phenoxy]-heptyl}-3-methyl-isoxazole
| Molecular Formula | C23H32N2O3 |
|---|---|
| Molecular Weight | 384.24 g/mol |
| LogP | 5.35642 |
| Topological Polar Surface Area | 56.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 384.2413 |
| Heavy Atoms | 28 |
| Complexity | 749.4628 |
Chemical Identifiers
| CAS Number | 112270-44-7 |
|---|---|
| SMILES | CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=N[C@@H](CO3)C(C)C |
Product Overview
9-(cyanomethyl)-9-(methylthio)fluorene (CAS 112270-44-7), with molecular formula C23H32N2O3 and molecular weight 384.24 g/mol. IUPAC: 3-methyl-5-[7-[4-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole.
Chemical Property Profile of 9-(cyanomethyl)-9-(methylthio)fluorene
Property Insights of 9-(cyanomethyl)-9-(methylthio)fluorene
The XLogP value of 5.35642 indicates that 9-(cyanomethyl)-9-(methylthio)fluorene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.85 Ų, 9-(cyanomethyl)-9-(methylthio)fluorene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(cyanomethyl)-9-(methylthio)fluorene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(cyanomethyl)-9-(methylthio)fluorene?
The CAS number of 9-(cyanomethyl)-9-(methylthio)fluorene is 112270-44-7.
What is the molecular formula of 9-(cyanomethyl)-9-(methylthio)fluorene?
The molecular formula of 9-(cyanomethyl)-9-(methylthio)fluorene is C23H32N2O3.
What is the molecular weight of 9-(cyanomethyl)-9-(methylthio)fluorene?
The molecular weight of 9-(cyanomethyl)-9-(methylthio)fluorene is 384.24 g/mol.
Where can I buy 9-(cyanomethyl)-9-(methylthio)fluorene?
You can request a quote for 9-(cyanomethyl)-9-(methylthio)fluorene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(cyanomethyl)-9-(methylthio)fluorene?
Yes, KEHONG BIO provides custom synthesis services for 9-(cyanomethyl)-9-(methylthio)fluorene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.