3-甲基次黄嘌呤
TL;DR: 3-甲基次黄嘌呤 (CAS 1006-11-7) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基次黄嘌呤
N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: 2-(1-Methyl-3-phenylpropylamino)-2-oxazoline, 2-Butylamine, N-(2-oxazolinyl)-4-phenyl-, n-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine, potassium 3,6-dichloro-2-methoxybenzoate, potassium,3,6-dichloro-2-methoxybenzoate
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 1006-11-7 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NC2=NCCO2 |
| InChIKey | LMZBCBIEZJGBHU-UHFFFAOYSA-N |
Product Overview
3-甲基次黄嘌呤 (CAS 1006-11-7), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: N-(4-phenylbutan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine.
Chemical Property Profile of 3-甲基次黄嘌呤
Property Insights of 3-甲基次黄嘌呤
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基次黄嘌呤. With a topological polar surface area (TPSA) of 33.6 Ų, 3-甲基次黄嘌呤 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基次黄嘌呤 has 1 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 3-甲基次黄嘌呤?
The CAS number of 3-甲基次黄嘌呤 is 1006-11-7.
What is the molecular formula of 3-甲基次黄嘌呤?
The molecular formula of 3-甲基次黄嘌呤 is C13H18N2O.
What is the molecular weight of 3-甲基次黄嘌呤?
The molecular weight of 3-甲基次黄嘌呤 is 218.14 g/mol.
Where can I buy 3-甲基次黄嘌呤?
You can request a quote for 3-甲基次黄嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基次黄嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基次黄嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.