ChemDiv1_016172
TL;DR: ChemDiv1_016172 (CAS 444787-98-8) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-yl)-7-methoxy-4'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Also Known As: ChemDiv1_016172, MixCom6_000332, F0918-7554, 2-(furan-2-yl)-7-methoxy-4'-methyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohexane], 4'-(furan-2-yl)-10'-methoxy-4-methyl-8'-oxa-5',6'-diazaspiro[cyclohexane-1,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(9'),4',10',12'-tetraene
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 4.7381 |
| Topological Polar Surface Area | 47.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 834.946 |
Chemical Identifiers
| CAS Number | 444787-98-8 |
|---|---|
| SMILES | CC1CCC2(CC1)N3C(CC(=N3)C4=CC=CO4)C5=C(O2)C(=CC=C5)OC |
Product Overview
ChemDiv1_016172 (CAS 444787-98-8), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: 2-(furan-2-yl)-7-methoxy-4'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].
Chemical Property Profile of ChemDiv1_016172
Property Insights of ChemDiv1_016172
The XLogP value of 4.7381 indicates that ChemDiv1_016172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.2 Ų, ChemDiv1_016172 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_016172 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_016172?
The CAS number of ChemDiv1_016172 is 444787-98-8.
What is the molecular formula of ChemDiv1_016172?
The molecular formula of ChemDiv1_016172 is C21H24N2O3.
What is the molecular weight of ChemDiv1_016172?
The molecular weight of ChemDiv1_016172 is 352.18 g/mol.
Where can I buy ChemDiv1_016172?
You can request a quote for ChemDiv1_016172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016172?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.