1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-
TL;DR: 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- (CAS 31231-58-0) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
Also Known As: Isochroman-1-ylmethyl-methyl-amine, (isochromanylmethyl)methylamine, 4-METHOXY-8-NITROQUINOLINE, 1-isochroman-1-yl-N-methyl-methanamine, 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 31231-58-0 |
|---|---|
| SMILES | CNCC1C2=CC=CC=C2CCO1 |
| InChIKey | QRTWLBGCEOIIBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- (CAS 31231-58-0), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine.
Chemical Property Profile of 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-
Property Insights of 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-. With a topological polar surface area (TPSA) of 21.3 Ų, 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- has 1 hydrogen bond donor(s) and 2 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 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-?
The CAS number of 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- is 31231-58-0.
What is the molecular formula of 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-?
The molecular formula of 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- is C11H15NO.
What is the molecular weight of 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-?
The molecular weight of 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- is 177.12 g/mol.
Where can I buy 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-?
You can request a quote for 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.