(3-溴-4-羟基亚苄基)丙二酸
TL;DR: (3-溴-4-羟基亚苄基)丙二酸 (CAS 73747-61-2) is a chemical compound with molecular formula C10H7BrO5 and molecular weight 285.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-溴-4-羟基亚苄基)丙二酸
2-[(3-bromo-4-hydroxyphenyl)methylidene]propanedioic acid
Also Known As: (3-Bromo-4-hydroxybenzylidene)malonic acid, MALONIC ACID, (3-BROMO-4-HYDROXYBENZYLIDENE)-, 2-[(3-bromo-4-hydroxyphenyl)methylidene]propanedioic acid, 4-10-00-02159 (Beilstein Handbook Reference), [(3-Bromo-4-hydroxyphenyl)methylidene]propanedioic acid
| Molecular Formula | C10H7BrO5 |
|---|---|
| Molecular Weight | 285.95 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.9477 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 73747-61-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C(C(=O)O)C(=O)O)Br)O |
| InChIKey | SHTXPOFRANTSEC-UHFFFAOYSA-N |
Product Overview
(3-溴-4-羟基亚苄基)丙二酸 (CAS 73747-61-2), with molecular formula C10H7BrO5 and molecular weight 285.95 g/mol. IUPAC: 2-[(3-bromo-4-hydroxyphenyl)methylidene]propanedioic acid.
Chemical Property Profile of (3-溴-4-羟基亚苄基)丙二酸
Property Insights of (3-溴-4-羟基亚苄基)丙二酸
The XLogP value of 3.0 indicates that (3-溴-4-羟基亚苄基)丙二酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-溴-4-羟基亚苄基)丙二酸. Following Lipinski's Rule of Five, (3-溴-4-羟基亚苄基)丙二酸 has 3 hydrogen bond donor(s) and 5 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-溴-4-羟基亚苄基)丙二酸?
The CAS number of (3-溴-4-羟基亚苄基)丙二酸 is 73747-61-2.
What is the molecular formula of (3-溴-4-羟基亚苄基)丙二酸?
The molecular formula of (3-溴-4-羟基亚苄基)丙二酸 is C10H7BrO5.
What is the molecular weight of (3-溴-4-羟基亚苄基)丙二酸?
The molecular weight of (3-溴-4-羟基亚苄基)丙二酸 is 285.95 g/mol.
Where can I buy (3-溴-4-羟基亚苄基)丙二酸?
You can request a quote for (3-溴-4-羟基亚苄基)丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-溴-4-羟基亚苄基)丙二酸?
Yes, KEHONG BIO provides custom synthesis services for (3-溴-4-羟基亚苄基)丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.