7-CN-9-(2,4-diOHBu)-7-deazaA
TL;DR: 7-CN-9-(2,4-diOHBu)-7-deazaA (CAS 127945-91-9) is a chemical compound with molecular formula C11H13N5O2 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-[(2S)-2,4-dihydroxybutyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Also Known As: 7-CN-9-(2,4-diOHBu)-7-deazaA, 7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-(2,4-dihydroxybutyl)-, (S)-, 4-Amino-5-cyano-7-((S)-2,4-dihydroxybutyl)pyrrolo(2,3-d)pyrimidine, 4-amino-7-[(2S)-2,4-dihydroxybutyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-[(2S)-2,4-dihydroxybutyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
| Molecular Formula | C11H13N5O2 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.10692 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 127945-91-9 |
|---|---|
| SMILES | C1=C(C2=C(N=CN=C2N1C[C@H](CCO)O)N)C#N |
| InChIKey | AIDCJUOFUUHEHX-QMMMGPOBSA-N |
Product Overview
7-CN-9-(2,4-diOHBu)-7-deazaA (CAS 127945-91-9), with molecular formula C11H13N5O2 and molecular weight 247.11 g/mol. IUPAC: 4-amino-7-[(2S)-2,4-dihydroxybutyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
Chemical Property Profile of 7-CN-9-(2,4-diOHBu)-7-deazaA
Property Insights of 7-CN-9-(2,4-diOHBu)-7-deazaA
The XLogP value of -1.0 indicates that 7-CN-9-(2,4-diOHBu)-7-deazaA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-CN-9-(2,4-diOHBu)-7-deazaA. Following Lipinski's Rule of Five, 7-CN-9-(2,4-diOHBu)-7-deazaA has 3 hydrogen bond donor(s) and 6 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 7-CN-9-(2,4-diOHBu)-7-deazaA?
The CAS number of 7-CN-9-(2,4-diOHBu)-7-deazaA is 127945-91-9.
What is the molecular formula of 7-CN-9-(2,4-diOHBu)-7-deazaA?
The molecular formula of 7-CN-9-(2,4-diOHBu)-7-deazaA is C11H13N5O2.
What is the molecular weight of 7-CN-9-(2,4-diOHBu)-7-deazaA?
The molecular weight of 7-CN-9-(2,4-diOHBu)-7-deazaA is 247.11 g/mol.
Where can I buy 7-CN-9-(2,4-diOHBu)-7-deazaA?
You can request a quote for 7-CN-9-(2,4-diOHBu)-7-deazaA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-CN-9-(2,4-diOHBu)-7-deazaA?
Yes, KEHONG BIO provides custom synthesis services for 7-CN-9-(2,4-diOHBu)-7-deazaA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.