RefChem:305117
TL;DR: RefChem:305117 (CAS 58019-94-6) is a chemical compound with molecular formula C27H40ClNO2 and molecular weight 445.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-but-2-ynyl-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol;hydrochloride
Also Known As: 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-2-(2-butynyl)-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-, hydrochloride, 2-(But-2-yn-1-yl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol--hydrogen chloride (1/1), 2-but-2-ynyl-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol hydrochloride, 2H-[1]Benzopyrano[4,3-c]pyridin-10-ol, 2-(2-butynyl)-8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-, hydrochloride, RefChem:305117
| Molecular Formula | C27H40ClNO2 |
|---|---|
| Molecular Weight | 445.27 g/mol |
| LogP | 6.7875 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.27475 |
| Heavy Atoms | 31 |
| Complexity | 861.9679 |
Chemical Identifiers
| CAS Number | 58019-94-6 |
|---|---|
| SMILES | CCCCCC(C)C(C)C1=CC(=C2C3=C(CCN(C3)CC#CC)C(OC2=C1)(C)C)O.Cl |
Product Overview
RefChem:305117 (CAS 58019-94-6), with molecular formula C27H40ClNO2 and molecular weight 445.27 g/mol. IUPAC: 2-but-2-ynyl-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol;hydrochloride.
Chemical Property Profile of RefChem:305117
Property Insights of RefChem:305117
The XLogP value of 6.7875 indicates that RefChem:305117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, RefChem:305117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305117 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:305117?
The CAS number of RefChem:305117 is 58019-94-6.
What is the molecular formula of RefChem:305117?
The molecular formula of RefChem:305117 is C27H40ClNO2.
What is the molecular weight of RefChem:305117?
The molecular weight of RefChem:305117 is 445.27 g/mol.
Where can I buy RefChem:305117?
You can request a quote for RefChem:305117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305117?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.