吲哚-3-丙烯酰甘氨酸
TL;DR: 吲哚-3-丙烯酰甘氨酸 (CAS 3475-68-1) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吲哚-3-丙烯酰甘氨酸
2-[3-(1H-indol-3-yl)prop-2-enoylamino]acetic acid
Also Known As: Indolylacryloylglycine, 2-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]acetic acid
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 3475-68-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=CC(=O)NCC(=O)O |
| InChIKey | DUIFVCFSAWHIOD-UHFFFAOYSA-N |
Product Overview
吲哚-3-丙烯酰甘氨酸 (CAS 3475-68-1), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 2-[3-(1H-indol-3-yl)prop-2-enoylamino]acetic acid.
Chemical Property Profile of 吲哚-3-丙烯酰甘氨酸
Property Insights of 吲哚-3-丙烯酰甘氨酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吲哚-3-丙烯酰甘氨酸. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 吲哚-3-丙烯酰甘氨酸. Following Lipinski's Rule of Five, 吲哚-3-丙烯酰甘氨酸 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 吲哚-3-丙烯酰甘氨酸?
The CAS number of 吲哚-3-丙烯酰甘氨酸 is 3475-68-1.
What is the molecular formula of 吲哚-3-丙烯酰甘氨酸?
The molecular formula of 吲哚-3-丙烯酰甘氨酸 is C13H12N2O3.
What is the molecular weight of 吲哚-3-丙烯酰甘氨酸?
The molecular weight of 吲哚-3-丙烯酰甘氨酸 is 244.08 g/mol.
Where can I buy 吲哚-3-丙烯酰甘氨酸?
You can request a quote for 吲哚-3-丙烯酰甘氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吲哚-3-丙烯酰甘氨酸?
Yes, KEHONG BIO provides custom synthesis services for 吲哚-3-丙烯酰甘氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.