4''-O-Deacyl-4''-O-phenylacetyldeltamycin
TL;DR: 4''-O-Deacyl-4''-O-phenylacetyldeltamycin (CAS 63347-45-5) is a chemical compound with molecular formula C45H65NO16 and molecular weight 875.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[6-[[7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-phenylacetate
Also Known As: 4''-O-Deacyl-4''-O-phenylacetyldeltamycin
| Molecular Formula | C45H65NO16 |
|---|---|
| Molecular Weight | 875.43 g/mol |
| LogP | 2.6294 |
| Topological Polar Surface Area | 215.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 875.43036 |
| Heavy Atoms | 62 |
| Complexity | 1705.0785 |
Chemical Identifiers
| CAS Number | 63347-45-5 |
|---|---|
| SMILES | CC1CC(C(C(C(CC(=O)OC(CC2C(O2)C=CC1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC5=CC=CC=C5)(C)O)N(C)C)O)CC=O |
Product Overview
4''-O-Deacyl-4''-O-phenylacetyldeltamycin (CAS 63347-45-5), with molecular formula C45H65NO16 and molecular weight 875.43 g/mol. IUPAC: [6-[6-[[7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-phenylacetate.
Chemical Property Profile of 4''-O-Deacyl-4''-O-phenylacetyldeltamycin
Property Insights of 4''-O-Deacyl-4''-O-phenylacetyldeltamycin
The XLogP value of 2.6294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4''-O-Deacyl-4''-O-phenylacetyldeltamycin. The TPSA of 215.42 Ų indicates high polarity, suggesting 4''-O-Deacyl-4''-O-phenylacetyldeltamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4''-O-Deacyl-4''-O-phenylacetyldeltamycin has 2 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 4''-O-Deacyl-4''-O-phenylacetyldeltamycin?
The CAS number of 4''-O-Deacyl-4''-O-phenylacetyldeltamycin is 63347-45-5.
What is the molecular formula of 4''-O-Deacyl-4''-O-phenylacetyldeltamycin?
The molecular formula of 4''-O-Deacyl-4''-O-phenylacetyldeltamycin is C45H65NO16.
What is the molecular weight of 4''-O-Deacyl-4''-O-phenylacetyldeltamycin?
The molecular weight of 4''-O-Deacyl-4''-O-phenylacetyldeltamycin is 875.43 g/mol.
Where can I buy 4''-O-Deacyl-4''-O-phenylacetyldeltamycin?
You can request a quote for 4''-O-Deacyl-4''-O-phenylacetyldeltamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4''-O-Deacyl-4''-O-phenylacetyldeltamycin?
Yes, KEHONG BIO provides custom synthesis services for 4''-O-Deacyl-4''-O-phenylacetyldeltamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.