3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione
TL;DR: 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione (CAS 77091-10-2) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2S,4aS,10aR)-2-hydroxy-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Also Known As: 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-2-hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-, (1S,2S,4aS,10aR)-, methyl (1S,2S,4aS,10aR)-2-hydroxy-4a-methyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate, methyl (1S,2S,4aS,10aR)-2-hydroxy-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate, Methyl 2-hydroxy-4a-methyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 77091-10-2 |
|---|---|
| SMILES | CC(=C)C1=CC2=C(C=C1)[C@]3(CC[C@@H]([C@H]([C@H]3CC2)C(=O)OC)O)C |
| InChIKey | YJDCZKQMEXFAHI-DOADOZAASA-N |
Product Overview
3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione (CAS 77091-10-2), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: methyl (1S,2S,4aS,10aR)-2-hydroxy-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate.
Chemical Property Profile of 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione
Property Insights of 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione
The XLogP value of 5.0 indicates that 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione 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-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione?
The CAS number of 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione is 77091-10-2.
What is the molecular formula of 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione?
The molecular formula of 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione is C20H26O3.
What is the molecular weight of 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione?
The molecular weight of 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione is 314.19 g/mol.
Where can I buy 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione?
You can request a quote for 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromoethyl)quinazoline-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.