![4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol structure](/static/products/2973/29736-30-9.webp)
4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol
TL;DR: 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol (CAS 29736-30-9) is a chemical compound with molecular formula C10H12ClN5O and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol
Also Known As: 2-Chloro-trans-zeatin, NCI60_025658, 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol, 2-Buten-1-ol, 4-[(2-chloro-1H-purin-6-yl)amino]-2-methyl-, (E)-
| Molecular Formula | C10H12ClN5O |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.07304 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 29736-30-9 |
|---|---|
| SMILES | CC(=CCNC1=NC(=NC2=C1NC=N2)Cl)CO |
| InChIKey | JABZKUYIOASMRH-UHFFFAOYSA-N |
Product Overview
4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol (CAS 29736-30-9), with molecular formula C10H12ClN5O and molecular weight 253.07 g/mol. IUPAC: 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol.
Chemical Property Profile of 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol
Property Insights of 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol. Following Lipinski's Rule of Five, 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol has 3 hydrogen bond donor(s) and 5 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 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol?
The CAS number of 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol is 29736-30-9.
What is the molecular formula of 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol?
The molecular formula of 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol is C10H12ClN5O.
What is the molecular weight of 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol?
The molecular weight of 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol is 253.07 g/mol.
Where can I buy 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol?
You can request a quote for 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-chloro-7H-purin-6-yl)amino]-2-methylbut-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.