Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride
TL;DR: Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride (CAS 100311-24-8) is a chemical compound with molecular formula C18H29ClN2O4 and molecular weight 372.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(butylamino)benzoate chloride
Also Known As: 2-Hydroxy-3-morpholinopropyl p-(butylamino)benzoate hydrochloride, BENZOIC ACID, p-(BUTYLAMINO)-, 2-HYDROXY-3-MORPHOLINOPROPYL ESTER, HYDROCHLORIDE, (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(butylamino)benzoate chloride, [4-(2,4,6-Triamino-pyrimidin-5-ylazo)-phenyl]-arsonsaeure, (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(butylamino)benzoate,chloride
| Molecular Formula | C18H29ClN2O4 |
|---|---|
| Molecular Weight | 372.18 g/mol |
| LogP | -2.66 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 372.18158 |
| Heavy Atoms | 25 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 100311-24-8 |
|---|---|
| SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCOCC2)O.[Cl-] |
| InChIKey | DLBILTOELYXFIN-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride (CAS 100311-24-8), with molecular formula C18H29ClN2O4 and molecular weight 372.18 g/mol. IUPAC: (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(butylamino)benzoate chloride.
Chemical Property Profile of Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride
Property Insights of Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride
The XLogP value of -2.66 indicates that Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride has 3 hydrogen bond donor(s) and 6 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 Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride?
The CAS number of Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride is 100311-24-8.
What is the molecular formula of Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride is C18H29ClN2O4.
What is the molecular weight of Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride is 372.18 g/mol.
Where can I buy Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(butylamino)-, 2-hydroxy-3-morpholinopropyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.