Deep-Heat
TL;DR: Deep-Heat (CAS 92172-29-7) is a chemical compound with molecular formula C33H35NO12 and molecular weight 637.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate;methyl pyridine-3-carboxylate
Also Known As: Deep-heat, 3-Pyridinecarboxylic acid, methyl ester, mixt. with ethyl 2-hydroxybenzoate, 2-hydroxyethyl 2-hydroxybenzoate and methyl 2-hydroxybenzoate, ethyl 2-hydroxybenzoate; 2-hydroxyethyl 2-hydroxybenzoate; methyl 2-hydroxybenzoate; methyl pyridine-3-carboxylate, RefChem:131406
| Molecular Formula | C33H35NO12 |
|---|---|
| Molecular Weight | 637.22 g/mol |
| LogP | 4.1572 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 637.21594 |
| Heavy Atoms | 46 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 92172-29-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1O.COC(=O)C1=CN=CC=C1.COC(=O)C1=CC=CC=C1O.C1=CC=C(C(=C1)C(=O)OCCO)O |
| InChIKey | FAKNPWOOBCNURP-UHFFFAOYSA-N |
Product Overview
Deep-Heat (CAS 92172-29-7), with molecular formula C33H35NO12 and molecular weight 637.22 g/mol. IUPAC: ethyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate;methyl pyridine-3-carboxylate.
Chemical Property Profile of Deep-Heat
Property Insights of Deep-Heat
The XLogP value of 4.1572 indicates that Deep-Heat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting Deep-Heat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deep-Heat has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deep-Heat?
The CAS number of Deep-Heat is 92172-29-7.
What is the molecular formula of Deep-Heat?
The molecular formula of Deep-Heat is C33H35NO12.
What is the molecular weight of Deep-Heat?
The molecular weight of Deep-Heat is 637.22 g/mol.
Where can I buy Deep-Heat?
You can request a quote for Deep-Heat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deep-Heat?
Yes, KEHONG BIO provides custom synthesis services for Deep-Heat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.