Einecs 277-615-8
TL;DR: Einecs 277-615-8 (CAS 73816-48-5) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-3-(1H-indol-3-yl)propan-1-ol
Also Known As: 2-((Indol-3-ylmethylene)amino)ethanol, 3-((2-Hydroxyethyl)iminomethyl)indole, 2-((1H-Indol-3-ylmethylene)amino)ethanol, Ethanol, 2-((indol-3-ylmethylene)amino)-, Ethanol, 2-((1H-indol-3-ylmethylene)amino)-
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 73816-48-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=N)CCO |
| InChIKey | BJRHJHLZJHRDAP-UHFFFAOYSA-N |
Product Overview
Einecs 277-615-8 (CAS 73816-48-5), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 3-imino-3-(1H-indol-3-yl)propan-1-ol.
Chemical Property Profile of Einecs 277-615-8
Property Insights of Einecs 277-615-8
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 277-615-8. With a topological polar surface area (TPSA) of 59.9 Ų, Einecs 277-615-8 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 277-615-8 has 3 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 Einecs 277-615-8?
The CAS number of Einecs 277-615-8 is 73816-48-5.
What is the molecular formula of Einecs 277-615-8?
The molecular formula of Einecs 277-615-8 is C11H12N2O.
What is the molecular weight of Einecs 277-615-8?
The molecular weight of Einecs 277-615-8 is 188.09 g/mol.
Where can I buy Einecs 277-615-8?
You can request a quote for Einecs 277-615-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 277-615-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 277-615-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.