2-Benzoxazolamine,N-cyclohexyl
TL;DR: 2-Benzoxazolamine,N-cyclohexyl (CAS 104500-07-4) is a chemical compound with molecular formula C24H27NO5S and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzo[a]anthracen-7-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid
Also Known As: 2-Benzoxazolamine,N-cyclohexyl, 2-((Benz(a)anthracen-7-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate, 1,3-Propanediol, 2-((benz(a)anthracen-7-ylmethyl)amino)-2-methyl-, methanesulfonate (salt), 2-((Benz(a)anthracen-7-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt), 2-(benzo[a]anthracen-7-ylmethylamino)-2-methylpropane-1,3-diol,methanesulfonic acid
| Molecular Formula | C24H27NO5S |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 3.4831 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.16098 |
| Heavy Atoms | 31 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 104500-07-4 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C41.CS(=O)(=O)O |
| InChIKey | ILCSXLQSNFIULT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolamine,N-cyclohexyl (CAS 104500-07-4), with molecular formula C24H27NO5S and molecular weight 441.16 g/mol. IUPAC: 2-(benzo[a]anthracen-7-ylmethylamino)-2-methylpropane-1,3-diol;methanesulfonic acid.
Chemical Property Profile of 2-Benzoxazolamine,N-cyclohexyl
Property Insights of 2-Benzoxazolamine,N-cyclohexyl
The XLogP value of 3.4831 indicates that 2-Benzoxazolamine,N-cyclohexyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoxazolamine,N-cyclohexyl. Following Lipinski's Rule of Five, 2-Benzoxazolamine,N-cyclohexyl has 4 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 2-Benzoxazolamine,N-cyclohexyl?
The CAS number of 2-Benzoxazolamine,N-cyclohexyl is 104500-07-4.
What is the molecular formula of 2-Benzoxazolamine,N-cyclohexyl?
The molecular formula of 2-Benzoxazolamine,N-cyclohexyl is C24H27NO5S.
What is the molecular weight of 2-Benzoxazolamine,N-cyclohexyl?
The molecular weight of 2-Benzoxazolamine,N-cyclohexyl is 441.16 g/mol.
Where can I buy 2-Benzoxazolamine,N-cyclohexyl?
You can request a quote for 2-Benzoxazolamine,N-cyclohexyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolamine,N-cyclohexyl?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolamine,N-cyclohexyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.