Ascomycin
TL;DR: Ascomycin (CAS 135635-46-0) is a chemical compound with molecular formula C43H69NO12 and molecular weight 791.48 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)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Also Known As: ascomycin, Immunomycin, Changchuanmycin, [Name not available], Tacrolimus Related Compound A
| Molecular Formula | C43H69NO12 |
|---|---|
| Molecular Weight | 791.48 g/mol |
| LogP | 4.4729 |
| Topological Polar Surface Area | 178.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 791.482 |
| Heavy Atoms | 56 |
| Complexity | 1430.8545 |
Chemical Identifiers
| CAS Number | 135635-46-0 |
|---|---|
| SMILES | CC[C@@H]1/C=C(/C[C@@H](C[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](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)\C |
Product Overview
Ascomycin (CAS 135635-46-0), with molecular formula C43H69NO12 and molecular weight 791.48 g/mol. IUPAC: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone.
Chemical Property Profile of Ascomycin
Property Insights of Ascomycin
The XLogP value of 4.4729 indicates that Ascomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.36 Ų indicates high polarity, suggesting Ascomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ascomycin has 3 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 Ascomycin?
The CAS number of Ascomycin is 135635-46-0.
What is the molecular formula of Ascomycin?
The molecular formula of Ascomycin is C43H69NO12.
What is the molecular weight of Ascomycin?
The molecular weight of Ascomycin is 791.48 g/mol.
Where can I buy Ascomycin?
You can request a quote for Ascomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ascomycin?
Yes, KEHONG BIO provides custom synthesis services for Ascomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.