RefChem:1079241
TL;DR: RefChem:1079241 (CAS 100311-25-9) is a chemical compound with molecular formula C20H26ClN2O3- and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-anilino-2-hydroxypropyl) 4-(butylamino)benzoate chloride
Also Known As: Benzoic acid, p-(butylamino)-, 2-hydroxy-3-(phenylamino)propyl ester, hydrochloride, (3-anilino-2-hydroxypropyl) 4-(butylamino)benzoate;chloride, 2-Hydroxy-3-(phenylamino)propyl p-(butylamino)benzoate hydrochloride, (3-anilino-2-hydroxypropyl) 4-(butylamino)benzoate chloride, (3-anilino-2-hydroxypropyl) 4-(butylamino)benzoate,chloride
| Molecular Formula | C20H26ClN2O3- |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 377.1632 |
| Heavy Atoms | 26 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 100311-25-9 |
|---|---|
| SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCC(CNC2=CC=CC=C2)O.[Cl-] |
| InChIKey | DBGHQQOLLYATEI-UHFFFAOYSA-M |
Product Overview
RefChem:1079241 (CAS 100311-25-9), with molecular formula C20H26ClN2O3- and molecular weight 377.16 g/mol. IUPAC: (3-anilino-2-hydroxypropyl) 4-(butylamino)benzoate chloride.
Chemical Property Profile of RefChem:1079241
Property Insights of RefChem:1079241
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079241. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079241. Following Lipinski's Rule of Five, RefChem:1079241 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 RefChem:1079241?
The CAS number of RefChem:1079241 is 100311-25-9.
What is the molecular formula of RefChem:1079241?
The molecular formula of RefChem:1079241 is C20H26ClN2O3-.
What is the molecular weight of RefChem:1079241?
The molecular weight of RefChem:1079241 is 377.16 g/mol.
Where can I buy RefChem:1079241?
You can request a quote for RefChem:1079241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079241?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.