(4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine
TL;DR: (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine (CAS 331965-98-1) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine
Also Known As: BAS 00701947, 6,6-Dimethyl-3-propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime, (Z)-6,6-dimethyl-3-propyl-6,7-dihydrobenzo[d]isoxazol-4(5H)-one oxime, (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine, (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 2.7778 |
| Topological Polar Surface Area | 58.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 418.6533 |
Chemical Identifiers
| CAS Number | 331965-98-1 |
|---|---|
| SMILES | CCCC1=NOC2=C1/C(=N\O)/CC(C2)(C)C |
Product Overview
(4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine (CAS 331965-98-1), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: (NZ)-N-(6,6-dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)hydroxylamine.
Chemical Property Profile of (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine
Property Insights of (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine
The XLogP value of 2.7778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine. With a topological polar surface area (TPSA) of 58.62 Ų, (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine has 1 hydrogen bond donor(s) and 4 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 (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine?
The CAS number of (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine is 331965-98-1.
What is the molecular formula of (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine?
The molecular formula of (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine is C12H18N2O2.
What is the molecular weight of (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine?
The molecular weight of (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine is 222.14 g/mol.
Where can I buy (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine?
You can request a quote for (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.