Chlor-IPA
TL;DR: Chlor-IPA (CAS 30561-97-8) is a chemical compound with molecular formula C14H18ClN5O4 and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[[(E)-3-chlorobut-2-enyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Chlor-IPA, N-[(2E)-3-Chlorobut-2-en-1-yl]-9-pentofuranosyl-9H-purin-6-amine
| Molecular Formula | C14H18ClN5O4 |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | -0.0077 |
| Topological Polar Surface Area | 125.55 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.10474 |
| Heavy Atoms | 24 |
| Complexity | 747.8401 |
Chemical Identifiers
| CAS Number | 30561-97-8 |
|---|---|
| SMILES | C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)/Cl |
Product Overview
Chlor-IPA (CAS 30561-97-8), with molecular formula C14H18ClN5O4 and molecular weight 355.10 g/mol. IUPAC: 2-[6-[[(E)-3-chlorobut-2-enyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of Chlor-IPA
Property Insights of Chlor-IPA
The XLogP value of -0.0077 indicates that Chlor-IPA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlor-IPA. Following Lipinski's Rule of Five, Chlor-IPA has 4 hydrogen bond donor(s) and 8 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 Chlor-IPA?
The CAS number of Chlor-IPA is 30561-97-8.
What is the molecular formula of Chlor-IPA?
The molecular formula of Chlor-IPA is C14H18ClN5O4.
What is the molecular weight of Chlor-IPA?
The molecular weight of Chlor-IPA is 355.10 g/mol.
Where can I buy Chlor-IPA?
You can request a quote for Chlor-IPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlor-IPA?
Yes, KEHONG BIO provides custom synthesis services for Chlor-IPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.