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Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium
TL;DR: Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium (CAS 6918-05-4) is a chemical compound with molecular formula C12H20N3O+ and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium
Also Known As: procarbazine(1+), Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium, 1-Methyl-2-({4-[(propan-2-yl)carbamoyl]phenyl}methyl)hydrazin-1-ium
| Molecular Formula | C12H20N3O+ |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 0.0226 |
| Topological Polar Surface Area | 57.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.16064 |
| Heavy Atoms | 16 |
| Complexity | 332.62204 |
Chemical Identifiers
| CAS Number | 6918-05-4 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=C(C=C1)CN[NH2+]C |
Product Overview
Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium (CAS 6918-05-4), with molecular formula C12H20N3O+ and molecular weight 222.16 g/mol. IUPAC: methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium.
Chemical Property Profile of Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium
Property Insights of Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium
The XLogP value of 0.0226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium. With a topological polar surface area (TPSA) of 57.74 Ų, Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium has 3 hydrogen bond donor(s) and 2 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 Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium?
The CAS number of Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium is 6918-05-4.
What is the molecular formula of Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium?
The molecular formula of Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium is C12H20N3O+.
What is the molecular weight of Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium?
The molecular weight of Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium is 222.16 g/mol.
Where can I buy Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium?
You can request a quote for Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium?
Yes, KEHONG BIO provides custom synthesis services for Methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.