RefChem:379830
TL;DR: RefChem:379830 (CAS 14102-34-2) is a chemical compound with molecular formula C14H21ClN2O4 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride
Also Known As: Salicylic acid, 4-(3-(isopropylamino)propionamido)-, methyl ester, monohydrochloride, 4-(3-(Isopropylamino)propionamido)salicylic acid methyl ester hydrochloride, methyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride, Methyl 2-hydroxy-4-{[N-(propan-2-yl)-beta-alanyl]amino}benzoate--hydrogen chloride (1/1), RefChem:379830
| Molecular Formula | C14H21ClN2O4 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 1.9272 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.119 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 14102-34-2 |
|---|---|
| SMILES | CC(C)NCCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.Cl |
| InChIKey | NUIYFZIVOABXRV-UHFFFAOYSA-N |
Product Overview
RefChem:379830 (CAS 14102-34-2), with molecular formula C14H21ClN2O4 and molecular weight 316.12 g/mol. IUPAC: methyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate;hydrochloride.
Chemical Property Profile of RefChem:379830
Property Insights of RefChem:379830
The XLogP value of 1.9272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:379830. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:379830. Following Lipinski's Rule of Five, RefChem:379830 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
Frequently Asked Questions
What is the CAS number of RefChem:379830?
The CAS number of RefChem:379830 is 14102-34-2.
What is the molecular formula of RefChem:379830?
The molecular formula of RefChem:379830 is C14H21ClN2O4.
What is the molecular weight of RefChem:379830?
The molecular weight of RefChem:379830 is 316.12 g/mol.
Where can I buy RefChem:379830?
You can request a quote for RefChem:379830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:379830?
Yes, KEHONG BIO provides custom synthesis services for RefChem:379830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.