Boc-DL-Trp-DL-Val-NHNH2
TL;DR: Boc-DL-Trp-DL-Val-NHNH2 (CAS 52894-03-8) is a chemical compound with molecular formula C21H31N5O4 and molecular weight 417.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Also Known As: Boc-DL-Trp-DL-Val-NHNH2, 3-Pentenoic acid,3-methyl-2-oxo-,methyl ester, tert-butyl N-[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate, L-Valine, N-[N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophyl]-, hydrazide (9CI), [1-(1-Hydrazinocarbonyl-2-methyl-propylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
| Molecular Formula | C21H31N5O4 |
|---|---|
| Molecular Weight | 417.24 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.2376 |
| Heavy Atoms | 30 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 52894-03-8 |
|---|---|
| SMILES | CC(C)C(C(=O)NN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C |
| InChIKey | IPFKXCPJNROMBP-UHFFFAOYSA-N |
Product Overview
Boc-DL-Trp-DL-Val-NHNH2 (CAS 52894-03-8), with molecular formula C21H31N5O4 and molecular weight 417.24 g/mol. IUPAC: tert-butyl N-[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of Boc-DL-Trp-DL-Val-NHNH2
Property Insights of Boc-DL-Trp-DL-Val-NHNH2
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-DL-Trp-DL-Val-NHNH2. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-DL-Trp-DL-Val-NHNH2. Following Lipinski's Rule of Five, Boc-DL-Trp-DL-Val-NHNH2 has 5 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 Boc-DL-Trp-DL-Val-NHNH2?
The CAS number of Boc-DL-Trp-DL-Val-NHNH2 is 52894-03-8.
What is the molecular formula of Boc-DL-Trp-DL-Val-NHNH2?
The molecular formula of Boc-DL-Trp-DL-Val-NHNH2 is C21H31N5O4.
What is the molecular weight of Boc-DL-Trp-DL-Val-NHNH2?
The molecular weight of Boc-DL-Trp-DL-Val-NHNH2 is 417.24 g/mol.
Where can I buy Boc-DL-Trp-DL-Val-NHNH2?
You can request a quote for Boc-DL-Trp-DL-Val-NHNH2 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-Val-NHNH2?
Yes, KEHONG BIO provides custom synthesis services for Boc-DL-Trp-DL-Val-NHNH2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.