![(S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid structure](/static/products/104/1049734-04-4.webp)
(S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid
TL;DR: (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid (CAS 1049734-04-4) is a chemical compound with molecular formula C22H22ClN3O3 and molecular weight 411.13498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-methyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]pentanoic acid;hydrochloride
Also Known As: (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid, (2S)-3-methyl-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)pentanoic acid hydrochloride
Technical Specifications
| Molecular Formula | C22H22ClN3O3 |
| Molecular Weight | 411.13498 g/mol |
| XLogP | 5.376 |
| Topological Polar Surface Area (TPSA) | 88.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.13498 Da |
| Heavy Atoms | 29 |
| Complexity | 539.0 |
| SMILES | CCC(C)[C@@H](C(=O)O)NC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4.Cl |
| InChIKey | UHRXOCRBFOTBJA-LPQWCSLBSA-N |
Chemical Property Profile of (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid
Property Insights of (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid
The XLogP value of 5.376 indicates that (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic 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)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid. Following Lipinski's Rule of Five, (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid?
The CAS number of (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid is 1049734-04-4.
What is the molecular formula of (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid?
The molecular formula of (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid is C22H22ClN3O3.
What is the molecular weight of (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid?
The molecular weight of (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid is 411.13498 g/mol.
Where can I buy (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid?
You can request a quote for (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-3-Methyl-2-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylamino)-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.