1-羟基辛烷-1,1-二膦酸
TL;DR: 1-羟基辛烷-1,1-二膦酸 (CAS 53019-19-5) is a chemical compound with molecular formula C11H13N3 and molecular weight 187.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-羟基辛烷-1,1-二膦酸
4-(3,5-dimethylpyrazol-1-yl)aniline
Also Known As: 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline, null, 4-(3,5-dimethylpyrazol-1-yl)aniline, 4- -PHENYLAMINE, Maybridge3_006503
| Molecular Formula | C11H13N3 |
|---|---|
| Molecular Weight | 187.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.11095 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 53019-19-5 |
|---|---|
| SMILES | CC1=CC(=NN1C2=CC=C(C=C2)N)C |
| InChIKey | BKLODFMZXGBJAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-羟基辛烷-1,1-二膦酸 (CAS 53019-19-5), with molecular formula C11H13N3 and molecular weight 187.11 g/mol. IUPAC: 4-(3,5-dimethylpyrazol-1-yl)aniline.
Chemical Property Profile of 1-羟基辛烷-1,1-二膦酸
Property Insights of 1-羟基辛烷-1,1-二膦酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-羟基辛烷-1,1-二膦酸. With a topological polar surface area (TPSA) of 43.8 Ų, 1-羟基辛烷-1,1-二膦酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-羟基辛烷-1,1-二膦酸 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 1-羟基辛烷-1,1-二膦酸?
The CAS number of 1-羟基辛烷-1,1-二膦酸 is 53019-19-5.
What is the molecular formula of 1-羟基辛烷-1,1-二膦酸?
The molecular formula of 1-羟基辛烷-1,1-二膦酸 is C11H13N3.
What is the molecular weight of 1-羟基辛烷-1,1-二膦酸?
The molecular weight of 1-羟基辛烷-1,1-二膦酸 is 187.11 g/mol.
Where can I buy 1-羟基辛烷-1,1-二膦酸?
You can request a quote for 1-羟基辛烷-1,1-二膦酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-羟基辛烷-1,1-二膦酸?
Yes, KEHONG BIO provides custom synthesis services for 1-羟基辛烷-1,1-二膦酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.