Ancriviroc
TL;DR: Ancriviroc (CAS 370893-06-4) is a chemical compound with molecular formula C28H37BrN4O3 and molecular weight 556.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-[C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
Also Known As: Ancriviroc, [4-[4-[C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone, [4-[4-[C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-pyridin-3-yl)methanone
| Molecular Formula | C28H37BrN4O3 |
|---|---|
| Molecular Weight | 556.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 556.2049 |
| Heavy Atoms | 36 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 370893-06-4 |
|---|---|
| SMILES | CCON=C(C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)C4=CC=C(C=C4)Br |
| InChIKey | ZGDKVKUWTCGYOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ancriviroc (CAS 370893-06-4), with molecular formula C28H37BrN4O3 and molecular weight 556.20 g/mol. IUPAC: [4-[4-[C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone.
Chemical Property Profile of Ancriviroc
Property Insights of Ancriviroc
The XLogP value of 4.3 indicates that Ancriviroc is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ancriviroc. Following Lipinski's Rule of Five, Ancriviroc has 0 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 Ancriviroc?
The CAS number of Ancriviroc is 370893-06-4.
What is the molecular formula of Ancriviroc?
The molecular formula of Ancriviroc is C28H37BrN4O3.
What is the molecular weight of Ancriviroc?
The molecular weight of Ancriviroc is 556.20 g/mol.
Where can I buy Ancriviroc?
You can request a quote for Ancriviroc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ancriviroc?
Yes, KEHONG BIO provides custom synthesis services for Ancriviroc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.