Tbnatmap
TL;DR: Tbnatmap (CAS 69002-74-0) is a chemical compound with molecular formula C36H47N7O10S and molecular weight 769.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Also Known As: Tbnatmap, Boc-nhoac-trp-met-asp-phe-NH2, N-t-Boc-Trp-Met-Asp-Phe-NH2, tert-Butyloxycarbonyl-aminooxyacetyl-tryptophyl-methionyl-aspartyl-phenylalaninamide, (3S)-3-[[(1S)-1-CARBAMOYL-2-PHENYL-ETHYL]CARBAMOYL]-3-[[(2S)-2-[[(2S)- 3-(1H-INDOL-3-YL)-2-[[2-(BOC-AMINO)OXYACETYL]AMINO]PROP ANOYL]AMINO]-4-METHYLSULFANYL-BUTANOYL]AMINO]PROPANOIC ACID
| Molecular Formula | C36H47N7O10S |
|---|---|
| Molecular Weight | 769.31 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 285.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 22 |
| Exact Mass | 769.3105 |
| Heavy Atoms | 54 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 69002-74-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NOCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N |
| InChIKey | GZDRRVJMVOOATR-LJWNLINESA-N |
Product Overview
Tbnatmap (CAS 69002-74-0), with molecular formula C36H47N7O10S and molecular weight 769.31 g/mol. IUPAC: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Tbnatmap
Property Insights of Tbnatmap
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tbnatmap. The TPSA of 285.0 Ų indicates high polarity, suggesting Tbnatmap may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tbnatmap has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tbnatmap?
The CAS number of Tbnatmap is 69002-74-0.
What is the molecular formula of Tbnatmap?
The molecular formula of Tbnatmap is C36H47N7O10S.
What is the molecular weight of Tbnatmap?
The molecular weight of Tbnatmap is 769.31 g/mol.
Where can I buy Tbnatmap?
You can request a quote for Tbnatmap directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tbnatmap?
Yes, KEHONG BIO provides custom synthesis services for Tbnatmap and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.