C12-H20-O2
TL;DR: C12-H20-O2 (CAS 5933-61-9) is a chemical compound with molecular formula C28H31FN2O5 and molecular weight 494.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-yl]methanone
Also Known As: tert-Butyl trans-6-methyl-3-cyclohexene-1-carboxylate, Phenothiazine, 10-(2-(dimethylamino)ethyl)-, hydrochloride, 3-Cyclohexene-1-carboxylic acid, 6-methyl-, tert-butyl ester, trans-
| Molecular Formula | C28H31FN2O5 |
|---|---|
| Molecular Weight | 494.22 g/mol |
| LogP | 4.6088 |
| Topological Polar Surface Area | 64.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.2217 |
| Heavy Atoms | 36 |
| Complexity | 1162.693 |
Chemical Identifiers
| CAS Number | 5933-61-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)N4CCC5(CC4)OCCO5 |
Product Overview
C12-H20-O2 (CAS 5933-61-9), with molecular formula C28H31FN2O5 and molecular weight 494.22 g/mol. IUPAC: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-yl]methanone.
Chemical Property Profile of C12-H20-O2
Property Insights of C12-H20-O2
The XLogP value of 4.6088 indicates that C12-H20-O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.38 Ų falls within the moderate polarity range, balancing permeability and solubility for C12-H20-O2. Following Lipinski's Rule of Five, C12-H20-O2 has 0 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 C12-H20-O2?
The CAS number of C12-H20-O2 is 5933-61-9.
What is the molecular formula of C12-H20-O2?
The molecular formula of C12-H20-O2 is C28H31FN2O5.
What is the molecular weight of C12-H20-O2?
The molecular weight of C12-H20-O2 is 494.22 g/mol.
Where can I buy C12-H20-O2?
You can request a quote for C12-H20-O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12-H20-O2?
Yes, KEHONG BIO provides custom synthesis services for C12-H20-O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.