Boc-DL-Trp-DL-His-OMe
TL;DR: Boc-DL-Trp-DL-His-OMe (CAS 72156-59-3) is a chemical compound with molecular formula C23H29N5O5 and molecular weight 455.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1H-imidazol-5-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
Also Known As: Boc-DL-Trp-DL-His-OMe, Methyl N-(tert-butoxycarbonyl)tryptophylhistidinate, methyl 3-(1H-imidazol-5-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate, METHYL 3-(3H-IMIDAZOL-4-YL)-2-[[3-(1H-INDOL-3-YL)-2-(BOC-AMINO)PROPANOYL]AMINO]PROPANOATE, Methyl 3-(3h-imidazol-4-yl)-2-[[3-(1h-indol-3-yl)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoate
| Molecular Formula | C23H29N5O5 |
|---|---|
| Molecular Weight | 455.22 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 455.21686 |
| Heavy Atoms | 33 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 72156-59-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CN=CN3)C(=O)OC |
| InChIKey | YSCJAZHVBGBAJL-UHFFFAOYSA-N |
Product Overview
Boc-DL-Trp-DL-His-OMe (CAS 72156-59-3), with molecular formula C23H29N5O5 and molecular weight 455.22 g/mol. IUPAC: methyl 3-(1H-imidazol-5-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate.
Chemical Property Profile of Boc-DL-Trp-DL-His-OMe
Property Insights of Boc-DL-Trp-DL-His-OMe
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-DL-Trp-DL-His-OMe. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-DL-Trp-DL-His-OMe. Following Lipinski's Rule of Five, Boc-DL-Trp-DL-His-OMe has 4 hydrogen bond donor(s) and 6 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 Boc-DL-Trp-DL-His-OMe?
The CAS number of Boc-DL-Trp-DL-His-OMe is 72156-59-3.
What is the molecular formula of Boc-DL-Trp-DL-His-OMe?
The molecular formula of Boc-DL-Trp-DL-His-OMe is C23H29N5O5.
What is the molecular weight of Boc-DL-Trp-DL-His-OMe?
The molecular weight of Boc-DL-Trp-DL-His-OMe is 455.22 g/mol.
Where can I buy Boc-DL-Trp-DL-His-OMe?
You can request a quote for Boc-DL-Trp-DL-His-OMe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-DL-Trp-DL-His-OMe?
Yes, KEHONG BIO provides custom synthesis services for Boc-DL-Trp-DL-His-OMe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.