Nannochelin A
TL;DR: Nannochelin A (CAS 133705-25-6) is a chemical compound with molecular formula C38H48N4O13 and molecular weight 768.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[3-carboxy-5-[[(2S)-2-carboxy-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]hexan-2-yl]amino]-3-hydroxy-5-oxopentanoyl]amino]-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-2-methylhexanoic acid
Also Known As: Nannochelin A, (2S)-2-[[3-carboxy-5-[[(2S)-2-carboxy-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]hexan-2-yl]amino]-3-hydroxy-5-oxopentanoyl]amino]-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-2-methylhexanoic acid, (2S)-2-[[3-carboxy-3-hydroxy-5-[[(2S)-1-hydroxy-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-2-methyl-1-oxohexan-2-yl]amino]-5-oxopentanoyl]amino]-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-2-methylhexanoic acid, L-Lysine, N2,N2'-(3-carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediyl)bis(N6-hydroxy-N6-(1-oxo-3-phenyl-2-propenyl)-, 1,1'-dimethyl ester
| Molecular Formula | C38H48N4O13 |
|---|---|
| Molecular Weight | 768.32 g/mol |
| LogP | 2.7043 |
| Topological Polar Surface Area | 271.41 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 768.3218 |
| Heavy Atoms | 55 |
| Complexity | 1601.5752 |
Chemical Identifiers
| CAS Number | 133705-25-6 |
|---|---|
| SMILES | C[C@@](NC(=O)CC(O)(C(=O)O)CC(=O)N[C@](C(=O)O)(CCCCN(O)C(=O)/C=C/C1=CC=CC=C1)C)(C(=O)O)CCCCN(O)C(=O)/C=C/C2=CC=CC=C2 |
Product Overview
Nannochelin A (CAS 133705-25-6), with molecular formula C38H48N4O13 and molecular weight 768.32 g/mol. IUPAC: (2S)-2-[[3-carboxy-5-[[(2S)-2-carboxy-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]hexan-2-yl]amino]-3-hydroxy-5-oxopentanoyl]amino]-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-2-methylhexanoic acid.
Chemical Property Profile of Nannochelin A
Property Insights of Nannochelin A
The XLogP value of 2.7043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nannochelin A. The TPSA of 271.41 Ų indicates high polarity, suggesting Nannochelin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nannochelin A has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nannochelin A?
The CAS number of Nannochelin A is 133705-25-6.
What is the molecular formula of Nannochelin A?
The molecular formula of Nannochelin A is C38H48N4O13.
What is the molecular weight of Nannochelin A?
The molecular weight of Nannochelin A is 768.32 g/mol.
Where can I buy Nannochelin A?
You can request a quote for Nannochelin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nannochelin A?
Yes, KEHONG BIO provides custom synthesis services for Nannochelin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.