![4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol structure](/static/products/1140/114020-48-3.webp)
4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol
TL;DR: 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol (CAS 114020-48-3) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(propan-2-ylamino)propyl]benzene-1,2-diol
Also Known As: 4-(2-isopropylamino-propyl)-pyrocatechol, 4-[2-(propan-2-ylamino)propyl]benzene-1,2-diol, 1,2-Benzenediol, 4-[2-[(1-methylethyl)amino]propyl]-, 1,2-Benzenediol, 4-[2-[(1-methylethyl)amino]propyl]- (9CI)
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 114020-48-3 |
|---|---|
| SMILES | CC(C)NC(C)CC1=CC(=C(C=C1)O)O |
| InChIKey | XHZUCIJXFFYRHC-UHFFFAOYSA-N |
Product Overview
4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol (CAS 114020-48-3), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: 4-[2-(propan-2-ylamino)propyl]benzene-1,2-diol.
Chemical Property Profile of 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol
Property Insights of 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol. With a topological polar surface area (TPSA) of 52.5 Ų, 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol 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 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol?
The CAS number of 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol is 114020-48-3.
What is the molecular formula of 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol?
The molecular formula of 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol is C12H19NO2.
What is the molecular weight of 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol?
The molecular weight of 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol is 209.14 g/mol.
Where can I buy 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol?
You can request a quote for 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(Propan-2-ylamino)propyl]benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.