Plerixafor Impurity 33
TL;DR: Plerixafor Impurity 33 (CAS 74676-47-4) is a chemical compound with molecular formula C36H46N4O8S4 and molecular weight 790.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
Also Known As: Plerixafor Impurity 33, Plerixafor Impurity 11, ChemDiv1_018732, PLERIXAFOR IMPURITY 1 (SM-1B), DivK1c_003516
| Molecular Formula | C36H46N4O8S4 |
|---|---|
| Molecular Weight | 790.22 g/mol |
| LogP | 4.33908 |
| Topological Polar Surface Area | 167.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 790.21985 |
| Heavy Atoms | 52 |
| Complexity | 2065.5112 |
Chemical Identifiers
| CAS Number | 74676-47-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCCN(CCN(CCCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C |
Product Overview
Plerixafor Impurity 33 (CAS 74676-47-4), with molecular formula C36H46N4O8S4 and molecular weight 790.22 g/mol. IUPAC: 4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide.
Chemical Property Profile of Plerixafor Impurity 33
Property Insights of Plerixafor Impurity 33
The XLogP value of 4.33908 indicates that Plerixafor Impurity 33 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.1 Ų indicates high polarity, suggesting Plerixafor Impurity 33 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Plerixafor Impurity 33 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Plerixafor Impurity 33?
The CAS number of Plerixafor Impurity 33 is 74676-47-4.
What is the molecular formula of Plerixafor Impurity 33?
The molecular formula of Plerixafor Impurity 33 is C36H46N4O8S4.
What is the molecular weight of Plerixafor Impurity 33?
The molecular weight of Plerixafor Impurity 33 is 790.22 g/mol.
Where can I buy Plerixafor Impurity 33?
You can request a quote for Plerixafor Impurity 33 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plerixafor Impurity 33?
Yes, KEHONG BIO provides custom synthesis services for Plerixafor Impurity 33 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.