乃卡巴精
TL;DR: 乃卡巴精 (CAS 330-95-0) is a chemical compound with molecular formula C19H18N6O6 and molecular weight 426.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乃卡巴精
1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one
Also Known As: Nicarbazin, Nicarbazine, Nirazin, Nicrazine, Nicrazin
| Molecular Formula | C19H18N6O6 |
|---|---|
| Molecular Weight | 426.13 g/mol |
| LogP | 3.53 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.12878 |
| Heavy Atoms | 31 |
| Complexity | 582.0 |
| Melting Point | decomposes 265-275 °C |
| Density | 0.5 g/ml |
| Solubility | Practically insoluble in water. Complex is slowly decomposed by trituration with water, or more rapidly by dilute aqueous acids. |
Chemical Identifiers
| CAS Number | 330-95-0 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UKHWDRMMMYWSFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乃卡巴精 (CAS 330-95-0), with molecular formula C19H18N6O6 and molecular weight 426.13 g/mol. IUPAC: 1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one.
Chemical Property Profile of 乃卡巴精
Property Insights of 乃卡巴精
The XLogP value of 3.53 indicates that 乃卡巴精 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting 乃卡巴精 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乃卡巴精 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 乃卡巴精?
The CAS number of 乃卡巴精 is 330-95-0.
What is the molecular formula of 乃卡巴精?
The molecular formula of 乃卡巴精 is C19H18N6O6.
What is the molecular weight of 乃卡巴精?
The molecular weight of 乃卡巴精 is 426.13 g/mol.
Where can I buy 乃卡巴精?
You can request a quote for 乃卡巴精 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乃卡巴精?
Yes, KEHONG BIO provides custom synthesis services for 乃卡巴精 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.