Tumidulin
TL;DR: Tumidulin (CAS 4382-39-2) is a chemical compound with molecular formula C17H14Cl2O7 and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate
Also Known As: Tumidulin, Methyl 3,5-dichlorolecanorate, (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate, 3-Hydroxy-4-(methoxycarbonyl)-5-methylphenyl 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate, (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,
| Molecular Formula | C17H14Cl2O7 |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.01166 |
| Heavy Atoms | 26 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 4382-39-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)OC)O)OC(=O)C2=C(C(=C(C(=C2O)Cl)O)Cl)C |
| InChIKey | CSRJYVIKHJFLSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tumidulin (CAS 4382-39-2), with molecular formula C17H14Cl2O7 and molecular weight 400.01 g/mol. IUPAC: (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate.
Chemical Property Profile of Tumidulin
Property Insights of Tumidulin
The XLogP value of 5.2 indicates that Tumidulin 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 Tumidulin. Following Lipinski's Rule of Five, Tumidulin 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 Tumidulin?
The CAS number of Tumidulin is 4382-39-2.
What is the molecular formula of Tumidulin?
The molecular formula of Tumidulin is C17H14Cl2O7.
What is the molecular weight of Tumidulin?
The molecular weight of Tumidulin is 400.01 g/mol.
Where can I buy Tumidulin?
You can request a quote for Tumidulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tumidulin?
Yes, KEHONG BIO provides custom synthesis services for Tumidulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.