InhA-IN-5
TL;DR: InhA-IN-5 (CAS 1854095-63-8) is a chemical compound with molecular formula C15H16N2O3S2 and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: InhA-IN-5, (2S)-2-[(5Z)-5-[(4-dimethylaminophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid, (2S)-2-[(5Z)-5-[(4-dimethylaminophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C15H16N2O3S2 |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 2.4269 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.06024 |
| Heavy Atoms | 22 |
| Complexity | 653.25635 |
Chemical Identifiers
| CAS Number | 1854095-63-8 |
|---|---|
| SMILES | C[C@@H](C(=O)O)N1C(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/SC1=S |
Product Overview
InhA-IN-5 (CAS 1854095-63-8), with molecular formula C15H16N2O3S2 and molecular weight 336.06 g/mol. IUPAC: (2S)-2-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of InhA-IN-5
Property Insights of InhA-IN-5
The XLogP value of 2.4269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InhA-IN-5. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for InhA-IN-5. Following Lipinski's Rule of Five, InhA-IN-5 has 1 hydrogen bond donor(s) and 5 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 InhA-IN-5?
The CAS number of InhA-IN-5 is 1854095-63-8.
What is the molecular formula of InhA-IN-5?
The molecular formula of InhA-IN-5 is C15H16N2O3S2.
What is the molecular weight of InhA-IN-5?
The molecular weight of InhA-IN-5 is 336.06 g/mol.
Where can I buy InhA-IN-5?
You can request a quote for InhA-IN-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InhA-IN-5?
Yes, KEHONG BIO provides custom synthesis services for InhA-IN-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.