3,5-Dichloro-2'-O-methylanziaic acid
TL;DR: 3,5-Dichloro-2'-O-methylanziaic acid (CAS 64185-14-4) is a chemical compound with molecular formula C25H30Cl2O7 and molecular weight 512.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dichloro-2,4-dihydroxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid
Also Known As: 3,5-Dichloro-2'-O-methylanziaic acid, "3,5-Dichloro-2-O-methylanziaic acid", 3,5-Dichloro-2 -O-methylanziaic acid, Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester, 4-(3,5-dichloro-2,4-dihydroxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid
| Molecular Formula | C25H30Cl2O7 |
|---|---|
| Molecular Weight | 512.14 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 512.13684 |
| Heavy Atoms | 34 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 64185-14-4 |
|---|---|
| SMILES | CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C(=C(C(=C2O)Cl)O)Cl)CCCCC)OC)C(=O)O |
| InChIKey | IDRJMRKONACJDM-UHFFFAOYSA-N |
Product Overview
3,5-Dichloro-2'-O-methylanziaic acid (CAS 64185-14-4), with molecular formula C25H30Cl2O7 and molecular weight 512.14 g/mol. IUPAC: 4-(3,5-dichloro-2,4-dihydroxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid.
Chemical Property Profile of 3,5-Dichloro-2'-O-methylanziaic acid
Property Insights of 3,5-Dichloro-2'-O-methylanziaic acid
The XLogP value of 8.8 indicates that 3,5-Dichloro-2'-O-methylanziaic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dichloro-2'-O-methylanziaic acid. Following Lipinski's Rule of Five, 3,5-Dichloro-2'-O-methylanziaic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Dichloro-2'-O-methylanziaic acid?
The CAS number of 3,5-Dichloro-2'-O-methylanziaic acid is 64185-14-4.
What is the molecular formula of 3,5-Dichloro-2'-O-methylanziaic acid?
The molecular formula of 3,5-Dichloro-2'-O-methylanziaic acid is C25H30Cl2O7.
What is the molecular weight of 3,5-Dichloro-2'-O-methylanziaic acid?
The molecular weight of 3,5-Dichloro-2'-O-methylanziaic acid is 512.14 g/mol.
Where can I buy 3,5-Dichloro-2'-O-methylanziaic acid?
You can request a quote for 3,5-Dichloro-2'-O-methylanziaic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloro-2'-O-methylanziaic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-2'-O-methylanziaic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.