4-Oxo-5-thiocyanatopentanoic acid
TL;DR: 4-Oxo-5-thiocyanatopentanoic acid (CAS 6302-36-9) is a chemical compound with molecular formula C6H7NO3S and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-5-thiocyanatopentanoic acid
Also Known As: 4-oxo-5-thiocyanatopentanoic acid, 4-oxo-5-thiocyanato-pentanoicacid, Pentanoic acid,4-oxo-5-thiocyanato-, Pentanoic acid,4-oxo-5-thiocyanato, 4-Oxo-5-(thiocyanato)pentanoic acid
| Molecular Formula | C6H7NO3S |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.01466 |
| Heavy Atoms | 11 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 6302-36-9 |
|---|---|
| SMILES | C(CC(=O)O)C(=O)CSC#N |
| InChIKey | LTRVIAZIWPWMTA-UHFFFAOYSA-N |
Product Overview
4-Oxo-5-thiocyanatopentanoic acid (CAS 6302-36-9), with molecular formula C6H7NO3S and molecular weight 173.01 g/mol. IUPAC: 4-oxo-5-thiocyanatopentanoic acid.
Chemical Property Profile of 4-Oxo-5-thiocyanatopentanoic acid
Property Insights of 4-Oxo-5-thiocyanatopentanoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-5-thiocyanatopentanoic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-5-thiocyanatopentanoic acid. Following Lipinski's Rule of Five, 4-Oxo-5-thiocyanatopentanoic acid 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 4-Oxo-5-thiocyanatopentanoic acid?
The CAS number of 4-Oxo-5-thiocyanatopentanoic acid is 6302-36-9.
What is the molecular formula of 4-Oxo-5-thiocyanatopentanoic acid?
The molecular formula of 4-Oxo-5-thiocyanatopentanoic acid is C6H7NO3S.
What is the molecular weight of 4-Oxo-5-thiocyanatopentanoic acid?
The molecular weight of 4-Oxo-5-thiocyanatopentanoic acid is 173.01 g/mol.
Where can I buy 4-Oxo-5-thiocyanatopentanoic acid?
You can request a quote for 4-Oxo-5-thiocyanatopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-5-thiocyanatopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-5-thiocyanatopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.