Cenicriviroc Sulfone
TL;DR: Cenicriviroc Sulfone (CAS 497223-22-0) is a chemical compound with molecular formula C41H52N4O5S and molecular weight 712.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(3-propylimidazol-4-yl)methylsulfonyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
Also Known As: Cenicriviroc Sulfone, 8-[4-(2-Butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[[(1-propyl-1H-imidazol-5-yl)methyl]sulfonyl]phenyl]-1-benzazocine-5-carboxamide, (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(3-propylimidazol-4-yl)methylsulfonyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide, (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[(3-propylimidazol-4-yl)methylsulfonyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide, 1-Benzazocine-5-carboxamide, 8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[[(1-propyl-1H-imidazol-5-yl)methyl]sulfonyl]phenyl]
| Molecular Formula | C41H52N4O5S |
|---|---|
| Molecular Weight | 712.37 g/mol |
| LogP | 8.4078 |
| Topological Polar Surface Area | 102.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 712.36584 |
| Heavy Atoms | 51 |
| Complexity | 1864.6593 |
Chemical Identifiers
| CAS Number | 497223-22-0 |
|---|---|
| SMILES | CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)S(=O)(=O)CC5=CN=CN5CCC)CC(C)C |
Product Overview
Cenicriviroc Sulfone (CAS 497223-22-0), with molecular formula C41H52N4O5S and molecular weight 712.37 g/mol. IUPAC: (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(3-propylimidazol-4-yl)methylsulfonyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide.
Chemical Property Profile of Cenicriviroc Sulfone
Property Insights of Cenicriviroc Sulfone
The XLogP value of 8.4078 indicates that Cenicriviroc Sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Cenicriviroc Sulfone. Following Lipinski's Rule of Five, Cenicriviroc Sulfone 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 Cenicriviroc Sulfone?
The CAS number of Cenicriviroc Sulfone is 497223-22-0.
What is the molecular formula of Cenicriviroc Sulfone?
The molecular formula of Cenicriviroc Sulfone is C41H52N4O5S.
What is the molecular weight of Cenicriviroc Sulfone?
The molecular weight of Cenicriviroc Sulfone is 712.37 g/mol.
Where can I buy Cenicriviroc Sulfone?
You can request a quote for Cenicriviroc Sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cenicriviroc Sulfone?
Yes, KEHONG BIO provides custom synthesis services for Cenicriviroc Sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.