1,3-Benzenediol, 5-(methylamino)-
TL;DR: 1,3-Benzenediol, 5-(methylamino)- (CAS 40248-01-9) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(methylamino)benzene-1,3-diol
Also Known As: 5-(methylamino)benzene-1,3-diol, N-Methyl-3,5-dihydroxyaniline, 1,3-Benzenediol, 5-(methylamino)-, 1,3-Benzenediol,5-(methylamino), 5-(Methylamino)-1,3-benzenediol #
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 40248-01-9 |
|---|---|
| SMILES | CNC1=CC(=CC(=C1)O)O |
| InChIKey | DDQAFFLMUSVRSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediol, 5-(methylamino)- (CAS 40248-01-9), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: 5-(methylamino)benzene-1,3-diol.
Chemical Property Profile of 1,3-Benzenediol, 5-(methylamino)-
Property Insights of 1,3-Benzenediol, 5-(methylamino)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediol, 5-(methylamino)-. With a topological polar surface area (TPSA) of 52.5 Ų, 1,3-Benzenediol, 5-(methylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediol, 5-(methylamino)- has 3 hydrogen bond donor(s) and 3 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 1,3-Benzenediol, 5-(methylamino)-?
The CAS number of 1,3-Benzenediol, 5-(methylamino)- is 40248-01-9.
What is the molecular formula of 1,3-Benzenediol, 5-(methylamino)-?
The molecular formula of 1,3-Benzenediol, 5-(methylamino)- is C7H9NO2.
What is the molecular weight of 1,3-Benzenediol, 5-(methylamino)-?
The molecular weight of 1,3-Benzenediol, 5-(methylamino)- is 139.06 g/mol.
Where can I buy 1,3-Benzenediol, 5-(methylamino)-?
You can request a quote for 1,3-Benzenediol, 5-(methylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 5-(methylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 5-(methylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.