C21H20ClN3O3
TL;DR: C21H20ClN3O3 (CAS 1049740-01-3) is a chemical compound with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid;hydrochloride
Also Known As: (S)-3-methyl-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid hydrochloride, (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-butyric acid
| Molecular Formula | C21H20ClN3O3 |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 4.9859 |
| Topological Polar Surface Area | 88.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.11932 |
| Heavy Atoms | 28 |
| Complexity | 1125.8713 |
Chemical Identifiers
| CAS Number | 1049740-01-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4.Cl |
Product Overview
C21H20ClN3O3 (CAS 1049740-01-3), with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol. IUPAC: (2S)-3-methyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid;hydrochloride.
Chemical Property Profile of C21H20ClN3O3
Property Insights of C21H20ClN3O3
The XLogP value of 4.9859 indicates that C21H20ClN3O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.25 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H20ClN3O3. Following Lipinski's Rule of Five, C21H20ClN3O3 has 2 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 C21H20ClN3O3?
The CAS number of C21H20ClN3O3 is 1049740-01-3.
What is the molecular formula of C21H20ClN3O3?
The molecular formula of C21H20ClN3O3 is C21H20ClN3O3.
What is the molecular weight of C21H20ClN3O3?
The molecular weight of C21H20ClN3O3 is 397.12 g/mol.
Where can I buy C21H20ClN3O3?
You can request a quote for C21H20ClN3O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H20ClN3O3?
Yes, KEHONG BIO provides custom synthesis services for C21H20ClN3O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.