Citropeptin
TL;DR: Citropeptin (CAS 128554-13-2) is a chemical compound with molecular formula C50H82N8O15 and molecular weight 1034.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[(2E,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[7-hydroxy-20-(1-hydroxyethyl)-6-(methoxymethyl)-4-methyl-3-(2-methylpropyl)-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]propanamide
Also Known As: Citropeptin, Citronellyl diphosphate, 2-[6-[(2E,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[7-hydroxy-20-(1-hydroxyethyl)-6-(methoxymethyl)-4-methyl-3-(2-methylpropyl)-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]propanamide, 2-(6-((2E,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl)-2-hydroxy-5-methyloxan-2-yl)-2-hydroxy-N-(7-hydroxy-20-(1-hydroxyethyl)-6-(methoxymethyl)-4-methyl-3-(2-methylpropyl)-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo(21.4.0.09,14)heptacosan-16-yl)propanamide
| Molecular Formula | C50H82N8O15 |
|---|---|
| Molecular Weight | 1034.59 g/mol |
| LogP | 0.3877 |
| Topological Polar Surface Area | 306.25 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 1034.59 |
| Heavy Atoms | 73 |
| Complexity | 2097.9995 |
Chemical Identifiers
| CAS Number | 128554-13-2 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)C(C)/C=C(\C)/C1C(CCC(O1)(C(C)(C(=O)NC2C(OC(=O)C(NC(=O)C3CCCNN3C(=O)C(N(C(=O)C(N(C(=O)C4CCCNN4C2=O)O)COC)C)CC(C)C)C(C)O)C(C)C)O)O)C |
Product Overview
Citropeptin (CAS 128554-13-2), with molecular formula C50H82N8O15 and molecular weight 1034.59 g/mol. IUPAC: 2-[6-[(2E,6E)-4,6-dimethyl-5-oxoocta-2,6-dien-2-yl]-2-hydroxy-5-methyloxan-2-yl]-2-hydroxy-N-[7-hydroxy-20-(1-hydroxyethyl)-6-(methoxymethyl)-4-methyl-3-(2-methylpropyl)-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]propanamide.
Chemical Property Profile of Citropeptin
Property Insights of Citropeptin
The XLogP value of 0.3877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Citropeptin. The TPSA of 306.25 Ų indicates high polarity, suggesting Citropeptin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Citropeptin has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Citropeptin?
The CAS number of Citropeptin is 128554-13-2.
What is the molecular formula of Citropeptin?
The molecular formula of Citropeptin is C50H82N8O15.
What is the molecular weight of Citropeptin?
The molecular weight of Citropeptin is 1034.59 g/mol.
Where can I buy Citropeptin?
You can request a quote for Citropeptin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citropeptin?
Yes, KEHONG BIO provides custom synthesis services for Citropeptin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.