2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran
TL;DR: 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran (CAS 98559-77-4) is a chemical compound with molecular formula C8H13ClO and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran
Also Known As: 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran, 2- -4,5-DIMETHYL-3,6-DIHYDRO-2H-PYRAN, 4-amino-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarbonitrile
| Molecular Formula | C8H13ClO |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 2.3505 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.06549 |
| Heavy Atoms | 10 |
| Complexity | 151.33658 |
Chemical Identifiers
| CAS Number | 98559-77-4 |
|---|---|
| SMILES | CC1=C(COC(C1)CCl)C |
Product Overview
2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran (CAS 98559-77-4), with molecular formula C8H13ClO and molecular weight 160.07 g/mol. IUPAC: 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran.
Chemical Property Profile of 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran
Property Insights of 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran
The XLogP value of 2.3505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran. With a topological polar surface area (TPSA) of 9.23 Ų, 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran has 0 hydrogen bond donor(s) and 1 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 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The CAS number of 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran is 98559-77-4.
What is the molecular formula of 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The molecular formula of 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran is C8H13ClO.
What is the molecular weight of 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
The molecular weight of 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran is 160.07 g/mol.
Where can I buy 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
You can request a quote for 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-4,5-dimethyl-3,6-dihydro-2H-pyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.