(1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol
TL;DR: (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol (CAS 130465-45-1) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,3S)-1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol
Also Known As: A-68930, A-70108, 5,6-Dihydroxy-3-phenyl-1-aminomethylisochroman, A 68930, A-70360
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H17NO3 |
| Molecular Weight | 271.12085 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.12085 Da |
| Heavy Atoms | 20 |
| Complexity | 319.0 |
| SMILES | C1[C@H](O[C@H](C2=C1C(=C(C=C2)O)O)CN)C3=CC=CC=C3 |
| InChIKey | SUHGRZPINGKYNV-GJZGRUSLSA-N |
Chemical Property Profile of (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol
Property Insights of (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol. Following Lipinski's Rule of Five, (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol?
The CAS number of (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol is 130465-45-1.
What is the molecular formula of (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol?
The molecular formula of (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol is C16H17NO3.
What is the molecular weight of (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol?
The molecular weight of (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol is 271.12085 g/mol.
Where can I buy (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol?
You can request a quote for (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol?
Yes, CoreyChem provides custom synthesis services for (1R,3S)-1-(Aminomethyl)-3,4-dihydro-3-phenyl-1H-2-benzopyran-5,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.