![(S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid structure](/static/products/121/1212313-31-9.webp)
(S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid
TL;DR: (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid (CAS 1212313-31-9) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.12698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid
Also Known As: ChemDiv3_015077, (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid, (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid
Technical Specifications
| Molecular Formula | C16H17N3O3 |
| Molecular Weight | 299.12698 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.12698 Da |
| Heavy Atoms | 22 |
| Complexity | 404.0 |
| SMILES | CC(C)C[C@@H](C(=O)O)NC1=NC=NC2=C1OC3=CC=CC=C32 |
| InChIKey | CKGSKVKUKSPJJZ-NSHDSACASA-N |
Chemical Property Profile of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid
Property Insights of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid
The XLogP value of 3.7 indicates that (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid. Following Lipinski's Rule of Five, (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid 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
What is the CAS number of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid?
The CAS number of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid is 1212313-31-9.
What is the molecular formula of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid?
The molecular formula of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid is C16H17N3O3.
What is the molecular weight of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid?
The molecular weight of (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid is 299.12698 g/mol.
Where can I buy (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid?
You can request a quote for (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-(benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.