Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester
TL;DR: Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester (CAS 120386-04-1) is a chemical compound with molecular formula C12H13N5O3 and molecular weight 275.10184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-amino-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl acetate
Also Known As: Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester, 2-((4-Amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy)ethyl acetate, 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,7-[[2-(acetyloxy)ethoxy]methyl]-4-amino-, 2-[(4-amino-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl acetate, 2-[(4-amino-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl acetate
Technical Specifications
| Molecular Formula | C12H13N5O3 |
| Molecular Weight | 275.10184 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.10184 Da |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
| SMILES | CC(=O)OCCOCN1C=C(C2=C(N=CN=C21)N)C#N |
| InChIKey | OSLRPEOECOKMMD-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester
Property Insights of Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester
The XLogP value of -0.2 indicates that Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester. Following Lipinski's Rule of Five, Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester?
The CAS number of Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester is 120386-04-1.
What is the molecular formula of Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester?
The molecular formula of Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester is C12H13N5O3.
What is the molecular weight of Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester?
The molecular weight of Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester is 275.10184 g/mol.
Where can I buy Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester?
You can request a quote for Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid 2-(4-amino-5-cyano-pyrrolo(2,3-d)pyrimidin-7-ylmethoxy)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.