4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol
TL;DR: 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol (CAS 66872-13-7) is a chemical compound with molecular formula C14H22N2O4 and molecular weight 282.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamidobenzoic acid;1-(dimethylamino)propan-2-ol
Also Known As: Dimepranol acedoben, Destruxin A, Dimepranol acedoben [USAN], 4-ABDAP, Dimepranol acedoben (USAN)
| Molecular Formula | C14H22N2O4 |
|---|---|
| Molecular Weight | 282.16 g/mol |
| LogP | 1.272 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.15796 |
| Heavy Atoms | 20 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 66872-13-7 |
|---|---|
| SMILES | CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | FJFQBKRMSCKTSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol (CAS 66872-13-7), with molecular formula C14H22N2O4 and molecular weight 282.16 g/mol. IUPAC: 4-acetamidobenzoic acid;1-(dimethylamino)propan-2-ol.
Chemical Property Profile of 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol
Property Insights of 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol
The XLogP value of 1.272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol. Following Lipinski's Rule of Five, 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol has 3 hydrogen bond donor(s) and 5 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 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol?
The CAS number of 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol is 66872-13-7.
What is the molecular formula of 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol?
The molecular formula of 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol is C14H22N2O4.
What is the molecular weight of 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol?
The molecular weight of 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol is 282.16 g/mol.
Where can I buy 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol?
You can request a quote for 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)benzoic acid-1-(dimethylamino)-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.