RefChem:379815
TL;DR: RefChem:379815 (CAS 14034-35-6) is a chemical compound with molecular formula C18H21ClN2O4 and molecular weight 364.119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[3-(benzylamino)propanoylamino]-2-hydroxybenzoate;hydrochloride
Also Known As: Methyl 4-(3-(benzylamino)propionamido)salicylate monohydrochloride, Salicylic acid, 4-(3-(benzylamino)propionamido)-, methyl ester, monohydrochloride, 4-(3-(Benzylamino)propionamido)salicylic acid methyl ester hydrochloride, methyl 4-[3-(benzylamino)propanoylamino]-2-hydroxybenzoate hydrochloride, Methyl 4-[(N-benzyl-beta-alanyl)amino]-2-hydroxybenzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C18H21ClN2O4 |
| Molecular Weight | 364.119 g/mol |
| XLogP | 2.719 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.119 Da |
| Heavy Atoms | 25 |
| Complexity | 410.0 |
| SMILES | COC(=O)C1=C(C=C(C=C1)NC(=O)CCNCC2=CC=CC=C2)O.Cl |
| InChIKey | LPWFIKGZJGURDT-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:379815
Property Insights of RefChem:379815
The XLogP value of 2.719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:379815. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:379815. Following Lipinski's Rule of Five, RefChem:379815 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:379815?
The CAS number of RefChem:379815 is 14034-35-6.
What is the molecular formula of RefChem:379815?
The molecular formula of RefChem:379815 is C18H21ClN2O4.
What is the molecular weight of RefChem:379815?
The molecular weight of RefChem:379815 is 364.119 g/mol.
Where can I buy RefChem:379815?
You can request a quote for RefChem:379815 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:379815?
Yes, CoreyChem provides custom synthesis services for RefChem:379815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.