3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid
TL;DR: 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid (CAS 20898-44-6) 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.
3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-His(Bzl)-OH, BOC-D-HIS(BZL)-OH, N-Boc-1-benzyl-L-histidine, N-Boc-1-phenylmethyl-D-histidine, Na-Boc-Nim-benzyl-D-histidine
| Molecular Formula | C18H23N3O4 |
|---|---|
| Molecular Weight | 345.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.16885 |
| Heavy Atoms | 25 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 20898-44-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CN(C=N1)CC2=CC=CC=C2)C(=O)O |
| InChIKey | OUHPNBGKEMHUCQ-UHFFFAOYSA-N |
Product Overview
3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid (CAS 20898-44-6), with molecular formula C18H23N3O4 and molecular weight 345.17 g/mol. IUPAC: 3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid
Property Insights of 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid. Following Lipinski's Rule of Five, 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid has 2 hydrogen bond donor(s) and 5 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 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid?
The CAS number of 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid is 20898-44-6.
What is the molecular formula of 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid?
The molecular formula of 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid is C18H23N3O4.
What is the molecular weight of 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid?
The molecular weight of 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid is 345.17 g/mol.
Where can I buy 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid?
You can request a quote for 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Benzylimidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.