6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1
TL;DR: 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1 (CAS 61417-47-8) is a chemical compound with molecular formula C30H51NO8 and molecular weight 553.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
Also Known As: 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1
| Molecular Formula | C30H51NO8 |
|---|---|
| Molecular Weight | 553.36 g/mol |
| LogP | 3.1013 |
| Topological Polar Surface Area | 118.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 553.36145 |
| Heavy Atoms | 39 |
| Complexity | 879.0236 |
Chemical Identifiers
| CAS Number | 61417-47-8 |
|---|---|
| SMILES | CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)C)C)C)C |
Product Overview
6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1 (CAS 61417-47-8), with molecular formula C30H51NO8 and molecular weight 553.36 g/mol. IUPAC: 9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione.
Chemical Property Profile of 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1
Property Insights of 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1
The XLogP value of 3.1013 indicates that 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1. Following Lipinski's Rule of Five, 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1?
The CAS number of 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1 is 61417-47-8.
What is the molecular formula of 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1?
The molecular formula of 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1 is C30H51NO8.
What is the molecular weight of 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1?
The molecular weight of 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1 is 553.36 g/mol.
Where can I buy 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1?
You can request a quote for 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1?
Yes, KEHONG BIO provides custom synthesis services for 6-De(2-oxoethyl)-4'-deoxy-6-methylcirramycin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.