Cylindol B
TL;DR: Cylindol B (CAS 159226-38-7) is a chemical compound with molecular formula C16H14O7 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-5-(4-hydroxy-3-methoxycarbonylphenoxy)benzoate
Also Known As: Cylindol B, Dimethyl 3,3'-oxybis(6-hydroxybenzoate), methyl 2-hydroxy-5-(4-hydroxy-3-methoxycarbonylphenoxy)benzoate, (3-fluoro-2-iodophenyl)diphenylphosphine oxide, 3,3 -Oxybis(6-hydroxybenzoic acid methyl) ester
| Molecular Formula | C16H14O7 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.07394 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 159226-38-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)OC2=CC(=C(C=C2)O)C(=O)OC)O |
| InChIKey | VSXYXFKPDHKDNT-UHFFFAOYSA-N |
Product Overview
Cylindol B (CAS 159226-38-7), with molecular formula C16H14O7 and molecular weight 318.07 g/mol. IUPAC: methyl 2-hydroxy-5-(4-hydroxy-3-methoxycarbonylphenoxy)benzoate.
Chemical Property Profile of Cylindol B
Property Insights of Cylindol B
The XLogP value of 3.5 indicates that Cylindol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cylindol B. Following Lipinski's Rule of Five, Cylindol B has 2 hydrogen bond donor(s) and 7 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 Cylindol B?
The CAS number of Cylindol B is 159226-38-7.
What is the molecular formula of Cylindol B?
The molecular formula of Cylindol B is C16H14O7.
What is the molecular weight of Cylindol B?
The molecular weight of Cylindol B is 318.07 g/mol.
Where can I buy Cylindol B?
You can request a quote for Cylindol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cylindol B?
Yes, KEHONG BIO provides custom synthesis services for Cylindol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.