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Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine
TL;DR: Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine (CAS 1212274-58-2) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)propanoic acid
Also Known As: BAS 00287810, Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine, (R)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)propanoic acid, (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)propanoic acid
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 1212274-58-2 |
|---|---|
| SMILES | C[C@H](C(=O)O)NC1=NC=NC2=C1OC3=CC=CC=C32 |
| InChIKey | RJJYVENWLDQYPA-SSDOTTSWSA-N |
Product Overview
Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine (CAS 1212274-58-2), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: (2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)propanoic acid.
Chemical Property Profile of Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine
Property Insights of Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine. Following Lipinski's Rule of Five, Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine has 2 hydrogen bond donor(s) and 6 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 Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine?
The CAS number of Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine is 1212274-58-2.
What is the molecular formula of Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine?
The molecular formula of Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine is C13H11N3O3.
What is the molecular weight of Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine?
The molecular weight of Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine is 257.08 g/mol.
Where can I buy Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine?
You can request a quote for Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine?
Yes, KEHONG BIO provides custom synthesis services for Benzofuro[3,2-d]pyrimidin-4-yl-D-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.