3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
TL;DR: 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile (CAS 65018-89-5) is a chemical compound with molecular formula C12H12BrNO2 and molecular weight 281.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Also Known As: 3-bromo-4-hydroxy-2,2-dimethylchromane-6-carbonitrile, 6-Cyano-trans-3-bromo-3,4-dihydro-2,2-dimethyl-2H-benzo-[b]-pyran-4-ol, 3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile, 3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-carbonitrile, 3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
| Molecular Formula | C12H12BrNO2 |
|---|---|
| Molecular Weight | 281.01 g/mol |
| LogP | 2.52618 |
| Topological Polar Surface Area | 53.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.00513 |
| Heavy Atoms | 16 |
| Complexity | 464.57684 |
Chemical Identifiers
| CAS Number | 65018-89-5 |
|---|---|
| SMILES | CC1(C(C(C2=C(O1)C=CC(=C2)C#N)O)Br)C |
Product Overview
3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile (CAS 65018-89-5), with molecular formula C12H12BrNO2 and molecular weight 281.01 g/mol. IUPAC: 3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile.
Chemical Property Profile of 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Property Insights of 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
The XLogP value of 2.52618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile. With a topological polar surface area (TPSA) of 53.25 Ų, 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile has 1 hydrogen bond donor(s) and 3 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-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile?
The CAS number of 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile is 65018-89-5.
What is the molecular formula of 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile?
The molecular formula of 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile is C12H12BrNO2.
What is the molecular weight of 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile?
The molecular weight of 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile is 281.01 g/mol.
Where can I buy 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile?
You can request a quote for 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.