tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide
TL;DR: tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide (CAS 15116-34-4) is a chemical compound with molecular formula C33H42N6O9 and molecular weight 666.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid
Also Known As: Boc-trp-orn(Z)-asp-NH2, tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide, (2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid, n-(tert-butoxycarbonyl)-l-tryptophyl-n5-[(benzyloxy)carbonyl]-l-ornithyl-l-asparagine, (S)-3-{(S)-5-Benzyloxycarbonylamino-2-[(S)-2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-pentanoylamino}-succinamic acid
| Molecular Formula | C33H42N6O9 |
|---|---|
| Molecular Weight | 666.30 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 666.30133 |
| Heavy Atoms | 48 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 15116-34-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=O)OCC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C(=O)O |
| InChIKey | LEKFBJJCGXWLRR-GSDHBNRESA-N |
Product Overview
tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide (CAS 15116-34-4), with molecular formula C33H42N6O9 and molecular weight 666.30 g/mol. IUPAC: (2S)-4-amino-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide
Property Insights of tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide. The TPSA of 231.0 Ų indicates high polarity, suggesting tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide has 7 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 tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide?
The CAS number of tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide is 15116-34-4.
What is the molecular formula of tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide?
The molecular formula of tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide is C33H42N6O9.
What is the molecular weight of tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide?
The molecular weight of tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide is 666.30 g/mol.
Where can I buy tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide?
You can request a quote for tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyloxycarbonyl-tryptophyl-benzyloxycarbonyl-ornithyl-aspartamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.