1-Benzylhexahydropyrimidine
TL;DR: 1-Benzylhexahydropyrimidine (CAS 77869-56-8) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1,3-diazinane
Also Known As: 1-benzylhexahydropyrimidine, 1-Benzyl-hexahydro-pyrimidine, 1-benzyl-1,3-diazinane, 1ben, N-benzyl-hexahydropyrimidine
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 77869-56-8 |
|---|---|
| SMILES | C1CNCN(C1)CC2=CC=CC=C2 |
| InChIKey | KOSJUMIQLLFOIG-UHFFFAOYSA-N |
Product Overview
1-Benzylhexahydropyrimidine (CAS 77869-56-8), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: 1-benzyl-1,3-diazinane.
Chemical Property Profile of 1-Benzylhexahydropyrimidine
Property Insights of 1-Benzylhexahydropyrimidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylhexahydropyrimidine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-Benzylhexahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzylhexahydropyrimidine 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 1-Benzylhexahydropyrimidine?
The CAS number of 1-Benzylhexahydropyrimidine is 77869-56-8.
What is the molecular formula of 1-Benzylhexahydropyrimidine?
The molecular formula of 1-Benzylhexahydropyrimidine is C11H16N2.
What is the molecular weight of 1-Benzylhexahydropyrimidine?
The molecular weight of 1-Benzylhexahydropyrimidine is 176.13 g/mol.
Where can I buy 1-Benzylhexahydropyrimidine?
You can request a quote for 1-Benzylhexahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylhexahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylhexahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.