![(S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid structure](/static/products/958/958950-98-6.png)
(S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid
TL;DR: (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid (CAS 958950-98-6) is a chemical compound with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid
Also Known As: BAS 07396167, (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid, (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid, (S)-2-(Benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-3-methyl-butyric acid
| Molecular Formula | C15H15N3O3 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 2.8971 |
| Topological Polar Surface Area | 88.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.11133 |
| Heavy Atoms | 21 |
| Complexity | 810.1402 |
Chemical Identifiers
| CAS Number | 958950-98-6 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC1=NC=NC2=C1OC3=CC=CC=C32 |
Product Overview
(S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid (CAS 958950-98-6), with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol. IUPAC: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid.
Chemical Property Profile of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid
Property Insights of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid
The XLogP value of 2.8971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid. The TPSA of 88.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid. Following Lipinski's Rule of Five, (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid 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 (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid?
The CAS number of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid is 958950-98-6.
What is the molecular formula of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid?
The molecular formula of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid is C15H15N3O3.
What is the molecular weight of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid?
The molecular weight of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid is 285.11 g/mol.
Where can I buy (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid?
You can request a quote for (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.