H-Tra-tyr(2-Br-Z)-4-acetylanilide
TL;DR: H-Tra-tyr(2-Br-Z)-4-acetylanilide (CAS 119329-01-0) is a chemical compound with molecular formula C33H36BrN3O6 and molecular weight 649.1788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] hydrogen carbonate
Also Known As: H-Tra-tyr(2-Br-Z)-4-acetylanilide, 4-Aminomethylcyclohexanecarbonyl-O-2-bromobenzyloxycarbonyltyrosine 4-acetylanilide, trans-4-(Aminomethyl)cyclohexanecarbonyl-O-(2-bromobenzyloxycarbonyl)tyrosine 4-acetylanilide, [[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] hydrogen carbonate, n-(4-acetylphenyl)-n
Technical Specifications
| Molecular Formula | C33H36BrN3O6 |
| Molecular Weight | 649.1788 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 649.1788 Da |
| Heavy Atoms | 43 |
| Complexity | 943.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC(=C(C=C2)C(C3=CC=CC=C3)OC(=O)O)Br)NC(=O)C4CCC(CC4)CN |
| InChIKey | PNPVDEPWEIHHIX-HPHOSPIKSA-N |
Chemical Property Profile of H-Tra-tyr(2-Br-Z)-4-acetylanilide
Property Insights of H-Tra-tyr(2-Br-Z)-4-acetylanilide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H-Tra-tyr(2-Br-Z)-4-acetylanilide. The TPSA of 148.0 Ų indicates high polarity, suggesting H-Tra-tyr(2-Br-Z)-4-acetylanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Tra-tyr(2-Br-Z)-4-acetylanilide has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of H-Tra-tyr(2-Br-Z)-4-acetylanilide?
The CAS number of H-Tra-tyr(2-Br-Z)-4-acetylanilide is 119329-01-0.
What is the molecular formula of H-Tra-tyr(2-Br-Z)-4-acetylanilide?
The molecular formula of H-Tra-tyr(2-Br-Z)-4-acetylanilide is C33H36BrN3O6.
What is the molecular weight of H-Tra-tyr(2-Br-Z)-4-acetylanilide?
The molecular weight of H-Tra-tyr(2-Br-Z)-4-acetylanilide is 649.1788 g/mol.
Where can I buy H-Tra-tyr(2-Br-Z)-4-acetylanilide?
You can request a quote for H-Tra-tyr(2-Br-Z)-4-acetylanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for H-Tra-tyr(2-Br-Z)-4-acetylanilide?
Yes, CoreyChem provides custom synthesis services for H-Tra-tyr(2-Br-Z)-4-acetylanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.