Cirramycin F1
TL;DR: Cirramycin F1 (CAS 74918-31-3) is a chemical compound with molecular formula C35H57NO12 and molecular weight 683.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(14E)-9-[(3R,4R,5S,6R)-4-amino-3-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
Also Known As: Cirramycin F1, Cirramycin F-1, 2-[(14E)-9-[(3R,4R,5S,6R)-4-amino-3-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde, Cirramycin A1, 4'-O-(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-, (4'(2S,5S,6S))-
| Molecular Formula | C35H57NO12 |
|---|---|
| Molecular Weight | 683.39 g/mol |
| LogP | 1.9485 |
| Topological Polar Surface Area | 196.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 683.38806 |
| Heavy Atoms | 48 |
| Complexity | 1136.8513 |
Chemical Identifiers
| CAS Number | 74918-31-3 |
|---|---|
| SMILES | CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4CC[C@H]([C@@H](O4)C)O)N)O)CC=O)C)C)C |
Product Overview
Cirramycin F1 (CAS 74918-31-3), with molecular formula C35H57NO12 and molecular weight 683.39 g/mol. IUPAC: 2-[(14E)-9-[(3R,4R,5S,6R)-4-amino-3-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde.
Chemical Property Profile of Cirramycin F1
Property Insights of Cirramycin F1
The XLogP value of 1.9485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cirramycin F1. The TPSA of 196.6 Ų indicates high polarity, suggesting Cirramycin F1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cirramycin F1 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cirramycin F1?
The CAS number of Cirramycin F1 is 74918-31-3.
What is the molecular formula of Cirramycin F1?
The molecular formula of Cirramycin F1 is C35H57NO12.
What is the molecular weight of Cirramycin F1?
The molecular weight of Cirramycin F1 is 683.39 g/mol.
Where can I buy Cirramycin F1?
You can request a quote for Cirramycin F1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cirramycin F1?
Yes, KEHONG BIO provides custom synthesis services for Cirramycin F1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.