L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester
TL;DR: L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester (CAS 225925-12-2) is a chemical compound with molecular formula C33H47N3O5 and molecular weight 565.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
Also Known As: L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester, tert-butyl (2S)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate, tert-butyl (S)-2-((S)-2-(azepane-1-carboxamido)-4-methylpentanamido)-3-(4-(benzyloxy)phenyl)propanoate, RefChem:170556
| Molecular Formula | C33H47N3O5 |
|---|---|
| Molecular Weight | 565.35 g/mol |
| LogP | 5.6349 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 565.35156 |
| Heavy Atoms | 41 |
| Complexity | 1103.9384 |
Chemical Identifiers
| CAS Number | 225925-12-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)NC(=O)N3CCCCCC3 |
Product Overview
L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester (CAS 225925-12-2), with molecular formula C33H47N3O5 and molecular weight 565.35 g/mol. IUPAC: tert-butyl (2S)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate.
Chemical Property Profile of L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester
Property Insights of L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester
The XLogP value of 5.6349 indicates that L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester?
The CAS number of L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester is 225925-12-2.
What is the molecular formula of L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester?
The molecular formula of L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester is C33H47N3O5.
What is the molecular weight of L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester?
The molecular weight of L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester is 565.35 g/mol.
Where can I buy L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester?
You can request a quote for L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Tyrosine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-O-(phenylmethyl)-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.