Ascrolimus
TL;DR: Ascrolimus (CAS 148147-65-3) is a chemical compound with molecular formula C44H69N5O11 and molecular weight 843.50 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-23,25-dimethoxy-12-[(E)-1-[(1R,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]prop-1-en-2-yl]-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: Ascrolimus, UNKNOWN, ABT 281, A-86281, (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(E)-1-[(1R,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
| Molecular Formula | C44H69N5O11 |
|---|---|
| Molecular Weight | 843.50 g/mol |
| LogP | 4.3398 |
| Topological Polar Surface Area | 201.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 843.4993 |
| Heavy Atoms | 60 |
| Complexity | 1687.2272 |
Chemical Identifiers
| CAS Number | 148147-65-3 |
|---|---|
| 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)N5C=NN=N5)/C)O)C)OC)OC)C)\C |
Product Overview
Ascrolimus (CAS 148147-65-3), with molecular formula C44H69N5O11 and molecular weight 843.50 g/mol. IUPAC: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-12-[(E)-1-[(1R,3R,4S)-3-methoxy-4-(tetrazol-1-yl)cyclohexyl]prop-1-en-2-yl]-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 Ascrolimus
Property Insights of Ascrolimus
The XLogP value of 4.3398 indicates that Ascrolimus is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.73 Ų indicates high polarity, suggesting Ascrolimus may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ascrolimus has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ascrolimus?
The CAS number of Ascrolimus is 148147-65-3.
What is the molecular formula of Ascrolimus?
The molecular formula of Ascrolimus is C44H69N5O11.
What is the molecular weight of Ascrolimus?
The molecular weight of Ascrolimus is 843.50 g/mol.
Where can I buy Ascrolimus?
You can request a quote for Ascrolimus directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ascrolimus?
Yes, KEHONG BIO provides custom synthesis services for Ascrolimus and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.