Nannochelin B
TL;DR: Nannochelin B (CAS 133705-27-8) is a chemical compound with molecular formula C37H46N4O13 and molecular weight 754.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Nannochelin B, 2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid, N2-(3-carboxy-3-hydroxy-5-(((S)-6-(N-hydroxycinnamamido)-1-methoxy-1-oxohexan-2-yl)amino)-5-oxopentanoyl)-N6-cinnamoyl-N6-hydroxylysine, 2-hydroxy-2-[2-[[1-hydroxy-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid, L-Lysine, N2-(3-carboxy-5-((1-carboxy-5-(hydroxy(1-oxo-3-phenyl-2-propenyl)amino)pentyl)amino)-3-hydroxy-1,5-dioxopentyl)-N6-hydroxy-N6-(1-oxo-3-phenyl-2-propenyl)-, 1-methyl ester
| Molecular Formula | C37H46N4O13 |
|---|---|
| Molecular Weight | 754.31 g/mol |
| LogP | 2.0125 |
| Topological Polar Surface Area | 260.41 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 23 |
| Exact Mass | 754.30615 |
| Heavy Atoms | 54 |
| Complexity | 1634.6847 |
Chemical Identifiers
| CAS Number | 133705-27-8 |
|---|---|
| SMILES | COC(=O)[C@H](CCCCN(C(=O)/C=C/C1=CC=CC=C1)O)NC(=O)CC(CC(=O)NC(CCCCN(C(=O)/C=C/C2=CC=CC=C2)O)C(=O)O)(C(=O)O)O |
Product Overview
Nannochelin B (CAS 133705-27-8), with molecular formula C37H46N4O13 and molecular weight 754.31 g/mol. IUPAC: 2-[2-[[1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Nannochelin B
Property Insights of Nannochelin B
The XLogP value of 2.0125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nannochelin B. The TPSA of 260.41 Ų indicates high polarity, suggesting Nannochelin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nannochelin B has 7 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 Nannochelin B?
The CAS number of Nannochelin B is 133705-27-8.
What is the molecular formula of Nannochelin B?
The molecular formula of Nannochelin B is C37H46N4O13.
What is the molecular weight of Nannochelin B?
The molecular weight of Nannochelin B is 754.31 g/mol.
Where can I buy Nannochelin B?
You can request a quote for Nannochelin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nannochelin B?
Yes, KEHONG BIO provides custom synthesis services for Nannochelin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.