beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester
TL;DR: beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester (CAS 77420-88-3) is a chemical compound with molecular formula C18H17ClN2O3 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propanoate
Also Known As: methyl3-[ amino]propanoate, beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester, methyl 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propanoate, Methyl N-(6-chloro-2-methoxyacridin-9-yl)-beta-alaninate
| Molecular Formula | C18H17ClN2O3 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.09277 |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 77420-88-3 |
|---|---|
| SMILES | COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCC(=O)OC |
| InChIKey | DCACMIIXPSBMEN-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester (CAS 77420-88-3), with molecular formula C18H17ClN2O3 and molecular weight 344.09 g/mol. IUPAC: methyl 3-[(6-chloro-2-methoxyacridin-9-yl)amino]propanoate.
Chemical Property Profile of beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester
Property Insights of beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester
The XLogP value of 4.5 indicates that beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester has 1 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 beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester?
The CAS number of beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester is 77420-88-3.
What is the molecular formula of beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester?
The molecular formula of beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester is C18H17ClN2O3.
What is the molecular weight of beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester?
The molecular weight of beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester is 344.09 g/mol.
Where can I buy beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester?
You can request a quote for beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(6-chloro-2-methoxy-9-acridinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.