RefChem:330816
TL;DR: RefChem:330816 (CAS 114684-97-8) is a chemical compound with molecular formula C10H11ClN4O2 and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid
Also Known As: Butanoic acid, 4-((2-chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)-, hydrate (2:1), 4-((2-Chloro-5H-pyrrolo(3,2-d)pyrimidin-4-yl)amino)butanoic acid hydrate (2:1), 4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid, RefChem:330816
| Molecular Formula | C10H11ClN4O2 |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 1.888 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.05705 |
| Heavy Atoms | 17 |
| Complexity | 540.08545 |
Chemical Identifiers
| CAS Number | 114684-97-8 |
|---|---|
| SMILES | C1=CNC2=C1N=C(N=C2NCCCC(=O)O)Cl |
Product Overview
RefChem:330816 (CAS 114684-97-8), with molecular formula C10H11ClN4O2 and molecular weight 254.06 g/mol. IUPAC: 4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid.
Chemical Property Profile of RefChem:330816
Property Insights of RefChem:330816
The XLogP value of 1.888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:330816. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:330816. Following Lipinski's Rule of Five, RefChem:330816 has 3 hydrogen bond donor(s) and 4 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 RefChem:330816?
The CAS number of RefChem:330816 is 114684-97-8.
What is the molecular formula of RefChem:330816?
The molecular formula of RefChem:330816 is C10H11ClN4O2.
What is the molecular weight of RefChem:330816?
The molecular weight of RefChem:330816 is 254.06 g/mol.
Where can I buy RefChem:330816?
You can request a quote for RefChem:330816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.