Demethomycin
TL;DR: Demethomycin (CAS 127984-76-3) is a chemical compound with molecular formula C43H67NO12 and molecular weight 789.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4R)-3,4-dihydroxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Also Known As: Demethomycin, Tacrolimus 31-DMT, Tacrolimus Impurity 20, 31-O-Demethyltacrolimus, 31-O-Demethyl-FK506
| Molecular Formula | C43H67NO12 |
|---|---|
| Molecular Weight | 789.47 g/mol |
| LogP | 3.9849 |
| Topological Polar Surface Area | 189.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 789.4663 |
| Heavy Atoms | 56 |
| Complexity | 1461.5369 |
Chemical Identifiers
| CAS Number | 127984-76-3 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)O)O)/C)O)C)OC)OC |
Product Overview
Demethomycin (CAS 127984-76-3), with molecular formula C43H67NO12 and molecular weight 789.47 g/mol. IUPAC: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4R)-3,4-dihydroxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone.
Chemical Property Profile of Demethomycin
Property Insights of Demethomycin
The XLogP value of 3.9849 indicates that Demethomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.36 Ų indicates high polarity, suggesting Demethomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethomycin has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demethomycin?
The CAS number of Demethomycin is 127984-76-3.
What is the molecular formula of Demethomycin?
The molecular formula of Demethomycin is C43H67NO12.
What is the molecular weight of Demethomycin?
The molecular weight of Demethomycin is 789.47 g/mol.
Where can I buy Demethomycin?
You can request a quote for Demethomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethomycin?
Yes, KEHONG BIO provides custom synthesis services for Demethomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.