Sch 38646
TL;DR: Sch 38646 (CAS 122076-87-3) is a chemical compound with molecular formula C49H77NO18 and molecular weight 967.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[5-acetyloxy-6-[[(14E)-7-acetyloxy-2-(acetyloxymethyl)-3-ethyl-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Also Known As: Sch 38646, 12,13-Epoxy-3,23,2'-tri-O-acetyl-4''-O-isovaleryldemycinosyltylosin, Tylosin, 23-O-acetyl-23-O-de(6-deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)-12,13-epoxy-12,13-dihydro-, 2A,3-diacetate 4B-(3-methylbutanoate), (12S,13S)-, Tylosin, 23-O-acetyl-23-O-de(6-deoxy-2,3-di-O-methyl-I(2)-D-allopyranosyl)-12,13-epoxy-12,13-dihydro-, 2A,3-diacetate 4B-(3-methylbutanoate), (12S,13S)-, RefChem:181737
| Molecular Formula | C49H77NO18 |
|---|---|
| Molecular Weight | 967.51 g/mol |
| LogP | 4.1941 |
| Topological Polar Surface Area | 238.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 15 |
| Exact Mass | 967.51404 |
| Heavy Atoms | 68 |
| Complexity | 1800.8939 |
Chemical Identifiers
| CAS Number | 122076-87-3 |
|---|---|
| SMILES | CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)OC(=O)C)CC=O)C)C)COC(=O)C |
Product Overview
Sch 38646 (CAS 122076-87-3), with molecular formula C49H77NO18 and molecular weight 967.51 g/mol. IUPAC: [6-[5-acetyloxy-6-[[(14E)-7-acetyloxy-2-(acetyloxymethyl)-3-ethyl-8,12,16-trimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate.
Chemical Property Profile of Sch 38646
Property Insights of Sch 38646
The XLogP value of 4.1941 indicates that Sch 38646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.56 Ų indicates high polarity, suggesting Sch 38646 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sch 38646 has 1 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sch 38646?
The CAS number of Sch 38646 is 122076-87-3.
What is the molecular formula of Sch 38646?
The molecular formula of Sch 38646 is C49H77NO18.
What is the molecular weight of Sch 38646?
The molecular weight of Sch 38646 is 967.51 g/mol.
Where can I buy Sch 38646?
You can request a quote for Sch 38646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sch 38646?
Yes, KEHONG BIO provides custom synthesis services for Sch 38646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.