![(3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid structure](/static/products/118/1187591-63-4.webp)
(3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid
TL;DR: (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid (CAS 1187591-63-4) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid
Also Known As: (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid, 3-(4-methylphenyl)-3-phenylmethoxycarbonylamino-propanoic Acid, (3S)-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid, (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoicacid
Technical Specifications
| Molecular Formula | C18H19NO4 |
| Molecular Weight | 313.1314 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.1314 Da |
| Heavy Atoms | 23 |
| Complexity | 384.0 |
| SMILES | CC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | WBZAYRKYQNSAIP-INIZCTEOSA-N |
Chemical Property Profile of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid
Property Insights of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid. Following Lipinski's Rule of Five, (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid has 2 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 (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
The CAS number of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid is 1187591-63-4.
What is the molecular formula of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
The molecular formula of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid is C18H19NO4.
What is the molecular weight of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
The molecular weight of (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid is 313.1314 g/mol.
Where can I buy (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
You can request a quote for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-3-{[(benzyloxy)carbonyl]amino}-3-(4-methylphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.