H1-A1NI2, 10
TL;DR: H1-A1NI2, 10 (CAS 307342-68-3) is a chemical compound with molecular formula C16H12N2O6S2 and molecular weight 392.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: H1-A1NI2, 10, BAS 00871946, 3-{(5Z)-5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid, (Z)-3-(5-(1-(carboxymethyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C16H12N2O6S2 |
|---|---|
| Molecular Weight | 392.01 g/mol |
| LogP | 1.1639 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.01367 |
| Heavy Atoms | 26 |
| Complexity | 894.4811 |
Chemical Identifiers
| CAS Number | 307342-68-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C(=O)N2CC(=O)O |
Product Overview
H1-A1NI2, 10 (CAS 307342-68-3), with molecular formula C16H12N2O6S2 and molecular weight 392.01 g/mol. IUPAC: 3-[(5Z)-5-[1-(carboxymethyl)-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of H1-A1NI2, 10
Property Insights of H1-A1NI2, 10
The XLogP value of 1.1639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H1-A1NI2, 10. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for H1-A1NI2, 10. Following Lipinski's Rule of Five, H1-A1NI2, 10 has 2 hydrogen bond donor(s) and 6 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 H1-A1NI2, 10?
The CAS number of H1-A1NI2, 10 is 307342-68-3.
What is the molecular formula of H1-A1NI2, 10?
The molecular formula of H1-A1NI2, 10 is C16H12N2O6S2.
What is the molecular weight of H1-A1NI2, 10?
The molecular weight of H1-A1NI2, 10 is 392.01 g/mol.
Where can I buy H1-A1NI2, 10?
You can request a quote for H1-A1NI2, 10 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H1-A1NI2, 10?
Yes, KEHONG BIO provides custom synthesis services for H1-A1NI2, 10 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.