1-(allylamino)-3-(1H-indol-1-yl)-2-propanol
TL;DR: 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol (CAS 860787-27-5) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-indol-1-yl-3-(prop-2-enylamino)propan-2-ol
Also Known As: 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol, 1-indol-1-yl-3-(prop-2-enylamino)propan-2-ol, 1-(1H-indol-1-yl)-3-[(prop-2-en-1-yl)amino]propan-2-ol, 12W-0924, 1-(indol-1-yl)-3-(prop-2-en-1-ylamino)propan-2-ol
| Molecular Formula | C14H18N2O |
|---|---|
| Molecular Weight | 230.14 g/mol |
| LogP | 1.7778 |
| Topological Polar Surface Area | 37.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.1419 |
| Heavy Atoms | 17 |
| Complexity | 489.6828 |
Chemical Identifiers
| CAS Number | 860787-27-5 |
|---|---|
| SMILES | C=CCNCC(CN1C=CC2=CC=CC=C21)O |
Product Overview
1-(allylamino)-3-(1H-indol-1-yl)-2-propanol (CAS 860787-27-5), with molecular formula C14H18N2O and molecular weight 230.14 g/mol. IUPAC: 1-indol-1-yl-3-(prop-2-enylamino)propan-2-ol.
Chemical Property Profile of 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol
Property Insights of 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol
The XLogP value of 1.7778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol. With a topological polar surface area (TPSA) of 37.19 Ų, 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol has 2 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-(allylamino)-3-(1H-indol-1-yl)-2-propanol?
The CAS number of 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol is 860787-27-5.
What is the molecular formula of 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol?
The molecular formula of 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol is C14H18N2O.
What is the molecular weight of 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol?
The molecular weight of 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol is 230.14 g/mol.
Where can I buy 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol?
You can request a quote for 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(allylamino)-3-(1H-indol-1-yl)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.