Dupont XA259
TL;DR: Dupont XA259 (CAS 147528-08-3) is a chemical compound with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate
Also Known As: Dupont XA259, TIBO pyrrolo AcOBz analog, 5H-Pyrrolo(1,2-d)(1,4)benzodiazepine-5-acetic acid, 6,7-dihydro-6-oxo-, phenylmethyl ester, (S)-, 6-Oxopyrrolo(1,2-d)(1,4)-benzodiazepin-5-acetic acid, benzyl ester, benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate
| Molecular Formula | C21H18N2O3 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.13174 |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 147528-08-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3C4=CC=CN24 |
| InChIKey | LONANILIWKPVLT-IBGZPJMESA-N |
Product Overview
Dupont XA259 (CAS 147528-08-3), with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol. IUPAC: benzyl 2-[(5S)-6-oxo-5,7-dihydropyrrolo[1,2-d][1,4]benzodiazepin-5-yl]acetate.
Chemical Property Profile of Dupont XA259
Property Insights of Dupont XA259
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dupont XA259. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Dupont XA259. Following Lipinski's Rule of Five, Dupont XA259 has 1 hydrogen bond donor(s) and 3 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 Dupont XA259?
The CAS number of Dupont XA259 is 147528-08-3.
What is the molecular formula of Dupont XA259?
The molecular formula of Dupont XA259 is C21H18N2O3.
What is the molecular weight of Dupont XA259?
The molecular weight of Dupont XA259 is 346.13 g/mol.
Where can I buy Dupont XA259?
You can request a quote for Dupont XA259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dupont XA259?
Yes, KEHONG BIO provides custom synthesis services for Dupont XA259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.