![2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid structure](/static/products/1396/1396963-90-8.webp)
2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid
TL;DR: 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid (CAS 1396963-90-8) is a chemical compound with molecular formula C14H25N3O3S and molecular weight 315.16165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetamido-5-(cyclohexylcarbamothioylamino)pentanoic acid
Also Known As: BAS 02912708, 2-Acetamido-5-(3-cyclohexylthioureido)pentanoic acid, BRD-A05222733-001-07-1, 2-acetamido-5-(cyclohexylcarbamothioylamino)pentanoic acid, 2-Acetylamino-5-(3-cyclohexyl-thioureido)-pentanoic acid
Technical Specifications
| Molecular Formula | C14H25N3O3S |
| Molecular Weight | 315.16165 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.16165 Da |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
| SMILES | CC(=O)NC(CCCNC(=S)NC1CCCCC1)C(=O)O |
| InChIKey | XSDDPDWIMJYAAU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid
Property Insights of 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid. Following Lipinski's Rule of Five, 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid?
The CAS number of 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid is 1396963-90-8.
What is the molecular formula of 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid?
The molecular formula of 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid is C14H25N3O3S.
What is the molecular weight of 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid?
The molecular weight of 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid is 315.16165 g/mol.
Where can I buy 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid?
You can request a quote for 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Acetylamino)-5-{[(cyclohexylamino)thioxomethyl]amino}pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.