![N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine structure](/static/products/810/81018-79-3.png)
N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine
TL;DR: N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine (CAS 81018-79-3) is a chemical compound with molecular formula C18H23N3O4 and molecular weight 345.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-His(Bzl)-OH, Boc-L-His(Bzl)-OH, BOC-L-HIS(BN)-OH, BOC-HIS -OH, BOC-Nim-benzyl-L-Histidine
| Molecular Formula | C18H23N3O4 |
|---|---|
| Molecular Weight | 345.17 g/mol |
| LogP | 2.4518 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.16885 |
| Heavy Atoms | 25 |
| Complexity | 719.4224 |
Chemical Identifiers
| CAS Number | 81018-79-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)CC2=CC=CC=C2)C(=O)O |
Product Overview
N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine (CAS 81018-79-3), with molecular formula C18H23N3O4 and molecular weight 345.17 g/mol. IUPAC: (2S)-3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine
Property Insights of N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine
The XLogP value of 2.4518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine. Following Lipinski's Rule of Five, N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine 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
Frequently Asked Questions
What is the CAS number of N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine?
The CAS number of N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine is 81018-79-3.
What is the molecular formula of N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine?
The molecular formula of N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine is C18H23N3O4.
What is the molecular weight of N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine?
The molecular weight of N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine is 345.17 g/mol.
Where can I buy N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine?
You can request a quote for N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine?
Yes, KEHONG BIO provides custom synthesis services for N-[(1,1-Dimethylethoxy)carbonyl]-1-(phenylmethyl)-L-histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.