Celiprolol Impurity B
TL;DR: Celiprolol Impurity B (CAS 125579-40-0) is a chemical compound with molecular formula C31H46N4O7 and molecular weight 586.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea
Also Known As: Celiprolol Impurity B, Celiprolol EP Impurity B, 1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea, N,N'-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-urea, N,N'-Bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)urea
| Molecular Formula | C31H46N4O7 |
|---|---|
| Molecular Weight | 586.34 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 586.3367 |
| Heavy Atoms | 42 |
| Complexity | 804.0 |
Chemical Identifiers
| CAS Number | 125579-40-0 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)OCC(CNC(C)(C)C)O)C(=O)C)OCC(CNC(C)(C)C)O |
| InChIKey | QPWPODQCWFCWKS-UHFFFAOYSA-N |
Product Overview
Celiprolol Impurity B (CAS 125579-40-0), with molecular formula C31H46N4O7 and molecular weight 586.34 g/mol. IUPAC: 1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea.
Chemical Property Profile of Celiprolol Impurity B
Property Insights of Celiprolol Impurity B
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Celiprolol Impurity B. The TPSA of 158.0 Ų indicates high polarity, suggesting Celiprolol Impurity B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Celiprolol Impurity B has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Celiprolol Impurity B?
The CAS number of Celiprolol Impurity B is 125579-40-0.
What is the molecular formula of Celiprolol Impurity B?
The molecular formula of Celiprolol Impurity B is C31H46N4O7.
What is the molecular weight of Celiprolol Impurity B?
The molecular weight of Celiprolol Impurity B is 586.34 g/mol.
Where can I buy Celiprolol Impurity B?
You can request a quote for Celiprolol Impurity B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Celiprolol Impurity B?
Yes, KEHONG BIO provides custom synthesis services for Celiprolol Impurity B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.