Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2
TL;DR: Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2 (CAS 13512-47-5) is a chemical compound with molecular formula C27H50N6O8 and molecular weight 586.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 5-hydrazinyl-4-[[3-methyl-2-[[3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxopentanoate
Also Known As: Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2, 1,4-Bis-(N,N-dimethyl-thiocarbamoylmercapto)-benzol, tert-butyl 5-hydrazinyl-4-[[3-methyl-2-[[3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxopentanoate, tert-butyl 4-(hydrazinecarbonyl)-4-[[3-methyl-2-[[3-methyl-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]pentanoyl]amino]butanoyl]amino]butanoate, tert-Butyl 9-(butan-2-yl)-15-(hydrazinecarbonyl)-2,2-dimethyl-4,7,10,13-tetraoxo-12-(propan-2-yl)-3-oxa-5,8,11,14-tetraazaoctadecan-18-oate
| Molecular Formula | C27H50N6O8 |
|---|---|
| Molecular Weight | 586.37 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 586.369 |
| Heavy Atoms | 41 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 13512-47-5 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NN)NC(=O)CNC(=O)OC(C)(C)C |
| InChIKey | SINDLAJJVJEKRR-UHFFFAOYSA-N |
Product Overview
Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2 (CAS 13512-47-5), with molecular formula C27H50N6O8 and molecular weight 586.37 g/mol. IUPAC: tert-butyl 5-hydrazinyl-4-[[3-methyl-2-[[3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxopentanoate.
Chemical Property Profile of Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2
Property Insights of Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2. The TPSA of 207.0 Ų indicates high polarity, suggesting Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2?
The CAS number of Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2 is 13512-47-5.
What is the molecular formula of Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2?
The molecular formula of Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2 is C27H50N6O8.
What is the molecular weight of Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2?
The molecular weight of Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2 is 586.37 g/mol.
Where can I buy Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2?
You can request a quote for Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2?
Yes, KEHONG BIO provides custom synthesis services for Boc-Gly-DL-xiIle-DL-Val-DL-Glu(OtBu)-NHNH2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.