AI 77C2
TL;DR: AI 77C2 (CAS 77700-96-0) is a chemical compound with molecular formula C22H30N2O7 and molecular weight 434.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(ethylamino)-5-oxooxolan-2-yl]-2-hydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]acetamide
Also Known As: AI 77C2, AI-77C2, AI-77C2, AI 77C2, 2-[3-(ethylamino)-5-oxooxolan-2-yl]-2-hydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]acetamide, 5-[N-[(S)-1-[[(S)-3,4-Dihydro-8-hydroxy-1-oxo-1H-2-benzopyran]-3-yl]-3-methylbutyl]aminocarbonyl]-2,3-dideoxy-3-ethylamino-D-ribo-pentonic acid 1,4-lactone
| Molecular Formula | C22H30N2O7 |
|---|---|
| Molecular Weight | 434.21 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.2053 |
| Heavy Atoms | 31 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 77700-96-0 |
|---|---|
| SMILES | CCNC1CC(=O)OC1C(C(=O)NC(CC(C)C)C2CC3=C(C(=CC=C3)O)C(=O)O2)O |
| InChIKey | IMPKHMMWFQRYCH-UHFFFAOYSA-N |
Product Overview
AI 77C2 (CAS 77700-96-0), with molecular formula C22H30N2O7 and molecular weight 434.21 g/mol. IUPAC: 2-[3-(ethylamino)-5-oxooxolan-2-yl]-2-hydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]acetamide.
Chemical Property Profile of AI 77C2
Property Insights of AI 77C2
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI 77C2. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 77C2. Following Lipinski's Rule of Five, AI 77C2 has 4 hydrogen bond donor(s) and 8 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 AI 77C2?
The CAS number of AI 77C2 is 77700-96-0.
What is the molecular formula of AI 77C2?
The molecular formula of AI 77C2 is C22H30N2O7.
What is the molecular weight of AI 77C2?
The molecular weight of AI 77C2 is 434.21 g/mol.
Where can I buy AI 77C2?
You can request a quote for AI 77C2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 77C2?
Yes, KEHONG BIO provides custom synthesis services for AI 77C2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.