3,3'-亚甲基双[5-溴-2-羟基苯甲酸]
TL;DR: 3,3'-亚甲基双[5-溴-2-羟基苯甲酸] (CAS 35423-52-0) is a chemical compound with molecular formula C15H10Br2O6 and molecular weight 443.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-亚甲基双[5-溴-2-羟基苯甲酸]
5-bromo-3-[(5-bromo-3-carboxy-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
Also Known As: benzoic acid, 3,3'-methylenebis[5-bromo-2-hydroxy-, 3,3'-Methylenebis(5-bromo-2-hydroxybenzoic acid), benzoic acid,3,3'-methylenebis[5-bromo-2-hydroxy, 3,3 -Methylenebis(5-bromo-2-hydroxybenzoic acid), 5-bromo-3-[(5-bromo-3-carboxy-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
| Molecular Formula | C15H10Br2O6 |
|---|---|
| Molecular Weight | 443.88 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.8844 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 35423-52-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Br)C(=O)O)O)O)C(=O)O)Br |
| InChIKey | LWQWHZWYCPLAKB-UHFFFAOYSA-N |
Product Overview
3,3'-亚甲基双[5-溴-2-羟基苯甲酸] (CAS 35423-52-0), with molecular formula C15H10Br2O6 and molecular weight 443.88 g/mol. IUPAC: 5-bromo-3-[(5-bromo-3-carboxy-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid.
Chemical Property Profile of 3,3'-亚甲基双[5-溴-2-羟基苯甲酸]
Property Insights of 3,3'-亚甲基双[5-溴-2-羟基苯甲酸]
The XLogP value of 4.7 indicates that 3,3'-亚甲基双[5-溴-2-羟基苯甲酸] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-亚甲基双[5-溴-2-羟基苯甲酸]. Following Lipinski's Rule of Five, 3,3'-亚甲基双[5-溴-2-羟基苯甲酸] has 4 hydrogen bond donor(s) and 6 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 3,3'-亚甲基双[5-溴-2-羟基苯甲酸]?
The CAS number of 3,3'-亚甲基双[5-溴-2-羟基苯甲酸] is 35423-52-0.
What is the molecular formula of 3,3'-亚甲基双[5-溴-2-羟基苯甲酸]?
The molecular formula of 3,3'-亚甲基双[5-溴-2-羟基苯甲酸] is C15H10Br2O6.
What is the molecular weight of 3,3'-亚甲基双[5-溴-2-羟基苯甲酸]?
The molecular weight of 3,3'-亚甲基双[5-溴-2-羟基苯甲酸] is 443.88 g/mol.
Where can I buy 3,3'-亚甲基双[5-溴-2-羟基苯甲酸]?
You can request a quote for 3,3'-亚甲基双[5-溴-2-羟基苯甲酸] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-亚甲基双[5-溴-2-羟基苯甲酸]?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-亚甲基双[5-溴-2-羟基苯甲酸] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.