![2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile structure](/static/products/7082/708287-22-3.webp)
2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile
TL;DR: 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile (CAS 708287-22-3) is a chemical compound with molecular formula C17H17BrN2OS and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile
Also Known As: 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile, 2-((4-bromobenzyl)amino)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile, 2-[(4-bromobenzyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carbonitrile
| Molecular Formula | C17H17BrN2OS |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 4.84568 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.0245 |
| Heavy Atoms | 22 |
| Complexity | 728.3526 |
Chemical Identifiers
| CAS Number | 708287-22-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC(=C2C#N)NCC3=CC=C(C=C3)Br)C |
Product Overview
2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile (CAS 708287-22-3), with molecular formula C17H17BrN2OS and molecular weight 376.02 g/mol. IUPAC: 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile.
Chemical Property Profile of 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile
Property Insights of 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile
The XLogP value of 4.84568 indicates that 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile?
The CAS number of 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile is 708287-22-3.
What is the molecular formula of 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile?
The molecular formula of 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile is C17H17BrN2OS.
What is the molecular weight of 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile?
The molecular weight of 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile is 376.02 g/mol.
Where can I buy 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile?
You can request a quote for 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-bromophenyl)methylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.