AO-081/15245269
TL;DR: AO-081/15245269 (CAS 1164480-52-7) is a chemical compound with molecular formula C27H27N5O5 and molecular weight 501.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[2,5-dimethyl-1-(4-morpholin-4-yl-3-nitrophenyl)pyrrol-3-yl]-N-(4-methoxyphenyl)prop-2-enamide
Also Known As: AO-081/15245269, 2-cyano-3-{1-[3-nitro-4-(4-morpholinyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-N-(4-methoxyphenyl)acrylamide, (E)-2-cyano-3-[2,5-dimethyl-1-(4-morpholin-4-yl-3-nitrophenyl)pyrrol-3-yl]-N-(4-methoxyphenyl)prop-2-enamide, (2E)-2-cyano-3-{2,5-dimethyl-1-[4-(morpholin-4-yl)-3-nitrophenyl]-1H-pyrrol-3-yl}-N-(4-methoxyphenyl)prop-2-enamide, (E)-2-cyano-3-(2,5-dimethyl-1-(4-morpholino-3-nitrophenyl)-1H-pyrrol-3-yl)-N-(4-methoxyphenyl)acrylamide
| Molecular Formula | C27H27N5O5 |
|---|---|
| Molecular Weight | 501.20 g/mol |
| LogP | 4.39322 |
| Topological Polar Surface Area | 122.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.20123 |
| Heavy Atoms | 37 |
| Complexity | 1395.7754 |
Chemical Identifiers
| CAS Number | 1164480-52-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)OC |
Product Overview
AO-081/15245269 (CAS 1164480-52-7), with molecular formula C27H27N5O5 and molecular weight 501.20 g/mol. IUPAC: (E)-2-cyano-3-[2,5-dimethyl-1-(4-morpholin-4-yl-3-nitrophenyl)pyrrol-3-yl]-N-(4-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of AO-081/15245269
Property Insights of AO-081/15245269
The XLogP value of 4.39322 indicates that AO-081/15245269 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15245269. Following Lipinski's Rule of Five, AO-081/15245269 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/15245269?
The CAS number of AO-081/15245269 is 1164480-52-7.
What is the molecular formula of AO-081/15245269?
The molecular formula of AO-081/15245269 is C27H27N5O5.
What is the molecular weight of AO-081/15245269?
The molecular weight of AO-081/15245269 is 501.20 g/mol.
Where can I buy AO-081/15245269?
You can request a quote for AO-081/15245269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15245269?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15245269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.