InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H
TL;DR: InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H (CAS 85819-61-0) is a chemical compound with molecular formula C8H7BrO4 and molecular weight 245.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,5-dihydroxy-4-methoxybenzaldehyde
Also Known As: 3-bromo-2,5-dihydroxy-4-methoxybenzaldehyde, 3-bromo-2,5-dihydroxy-4-methoxy-benzaldehyde, InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H
| Molecular Formula | C8H7BrO4 |
|---|---|
| Molecular Weight | 245.95 g/mol |
| LogP | 1.6814 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.95277 |
| Heavy Atoms | 13 |
| Complexity | 348.48752 |
Chemical Identifiers
| CAS Number | 85819-61-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1Br)O)C=O)O |
Product Overview
InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H (CAS 85819-61-0), with molecular formula C8H7BrO4 and molecular weight 245.95 g/mol. IUPAC: 3-bromo-2,5-dihydroxy-4-methoxybenzaldehyde.
Chemical Property Profile of InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H
Property Insights of InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H
The XLogP value of 1.6814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H. Following Lipinski's Rule of Five, InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H has 2 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 InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H?
The CAS number of InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H is 85819-61-0.
What is the molecular formula of InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H?
The molecular formula of InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H is C8H7BrO4.
What is the molecular weight of InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H?
The molecular weight of InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H is 245.95 g/mol.
Where can I buy InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H?
You can request a quote for InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C8H7BrO4/c1-13-8-5(11)2-4(3-10)7(12)6(8)9/h2-3,11-12H,1H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.