AO-081/15245264
TL;DR: AO-081/15245264 (CAS 347333-16-8) is a chemical compound with molecular formula C28H29N5O3 and molecular weight 483.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-benzyl-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidin-1-ylphenyl)pyrrol-3-yl]prop-2-enamide
Also Known As: AO-081/15245264, (E)-N-benzyl-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidin-1-ylphenyl)pyrrol-3-yl]prop-2-enamide, N-benzyl-2-cyano-3-{1-[3-nitro-4-(1-piperidinyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}acrylamide, (2E)-N-benzyl-2-cyano-3-{2,5-dimethyl-1-[3-nitro-4-(piperidin-1-yl)phenyl]-1H-pyrrol-3-yl}prop-2-enamide, (E)-N-benzyl-2-cyano-3-(2,5-dimethyl-1-(3-nitro-4-(piperidin-1-yl)phenyl)-1H-pyrrol-3-yl)acrylamide
| Molecular Formula | C28H29N5O3 |
|---|---|
| Molecular Weight | 483.23 g/mol |
| LogP | 5.21602 |
| Topological Polar Surface Area | 104.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.22705 |
| Heavy Atoms | 36 |
| Complexity | 1345.495 |
Chemical Identifiers
| CAS Number | 347333-16-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)/C=C(\C#N)/C(=O)NCC4=CC=CC=C4 |
Product Overview
AO-081/15245264 (CAS 347333-16-8), with molecular formula C28H29N5O3 and molecular weight 483.23 g/mol. IUPAC: (E)-N-benzyl-2-cyano-3-[2,5-dimethyl-1-(3-nitro-4-piperidin-1-ylphenyl)pyrrol-3-yl]prop-2-enamide.
Chemical Property Profile of AO-081/15245264
Property Insights of AO-081/15245264
The XLogP value of 5.21602 indicates that AO-081/15245264 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15245264. Following Lipinski's Rule of Five, AO-081/15245264 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/15245264?
The CAS number of AO-081/15245264 is 347333-16-8.
What is the molecular formula of AO-081/15245264?
The molecular formula of AO-081/15245264 is C28H29N5O3.
What is the molecular weight of AO-081/15245264?
The molecular weight of AO-081/15245264 is 483.23 g/mol.
Where can I buy AO-081/15245264?
You can request a quote for AO-081/15245264 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15245264?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15245264 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.