L-732531
TL;DR: L-732531 (CAS 148365-48-4) is a chemical compound with molecular formula C53H78N2O13 and molecular weight 950.55 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-[1-(2-hydroxyethyl)indol-5-yl]oxy-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: Indolyl-ascomycin, indolyl-ASC, L-732531, 32-O-(1-Hydroxyethylindol-5-yl)ascomycin, L-732,531
| Molecular Formula | C53H78N2O13 |
|---|---|
| Molecular Weight | 950.55 g/mol |
| LogP | 6.5066 |
| Topological Polar Surface Area | 192.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 950.5504 |
| Heavy Atoms | 68 |
| Complexity | 2116.542 |
Chemical Identifiers
| CAS Number | 148365-48-4 |
|---|---|
| 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)OC5=CC6=C(C=C5)N(C=C6)CCO)/C)O)C)OC)OC)C)\C |
Product Overview
L-732531 (CAS 148365-48-4), with molecular formula C53H78N2O13 and molecular weight 950.55 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-[1-(2-hydroxyethyl)indol-5-yl]oxy-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 L-732531
Property Insights of L-732531
The XLogP value of 6.5066 indicates that L-732531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.52 Ų indicates high polarity, suggesting L-732531 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-732531 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-732531?
The CAS number of L-732531 is 148365-48-4.
What is the molecular formula of L-732531?
The molecular formula of L-732531 is C53H78N2O13.
What is the molecular weight of L-732531?
The molecular weight of L-732531 is 950.55 g/mol.
Where can I buy L-732531?
You can request a quote for L-732531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-732531?
Yes, KEHONG BIO provides custom synthesis services for L-732531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.