(3,5-二氯-4-羟基亚苄基)丙二酸
TL;DR: (3,5-二氯-4-羟基亚苄基)丙二酸 (CAS 73747-62-3) is a chemical compound with molecular formula C10H6Cl2O5 and molecular weight 275.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-二氯-4-羟基亚苄基)丙二酸
2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]propanedioic acid
Also Known As: 3,5-Dichloro-4-hydroxybenzylidinemalonic acid, MALONIC ACID, (3,5-DICHLORO-4-HYDROXYBENZYLIDENE)-, 4-10-00-02159 (Beilstein Handbook Reference), 2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]propanedioic acid, 3,5-Dichloro-4-hydroxyphenylmethylenemalonicacid
| Molecular Formula | C10H6Cl2O5 |
|---|---|
| Molecular Weight | 275.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.95923 |
| Heavy Atoms | 17 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 73747-62-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)O)Cl)C=C(C(=O)O)C(=O)O |
| InChIKey | ZTZIVFMAPLCEJY-UHFFFAOYSA-N |
Product Overview
(3,5-二氯-4-羟基亚苄基)丙二酸 (CAS 73747-62-3), with molecular formula C10H6Cl2O5 and molecular weight 275.96 g/mol. IUPAC: 2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]propanedioic acid.
Chemical Property Profile of (3,5-二氯-4-羟基亚苄基)丙二酸
Property Insights of (3,5-二氯-4-羟基亚苄基)丙二酸
The XLogP value of 3.6 indicates that (3,5-二氯-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 (3,5-二氯-4-羟基亚苄基)丙二酸. Following Lipinski's Rule of Five, (3,5-二氯-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 (3,5-二氯-4-羟基亚苄基)丙二酸?
The CAS number of (3,5-二氯-4-羟基亚苄基)丙二酸 is 73747-62-3.
What is the molecular formula of (3,5-二氯-4-羟基亚苄基)丙二酸?
The molecular formula of (3,5-二氯-4-羟基亚苄基)丙二酸 is C10H6Cl2O5.
What is the molecular weight of (3,5-二氯-4-羟基亚苄基)丙二酸?
The molecular weight of (3,5-二氯-4-羟基亚苄基)丙二酸 is 275.96 g/mol.
Where can I buy (3,5-二氯-4-羟基亚苄基)丙二酸?
You can request a quote for (3,5-二氯-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 (3,5-二氯-4-羟基亚苄基)丙二酸?
Yes, KEHONG BIO provides custom synthesis services for (3,5-二氯-4-羟基亚苄基)丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.