5-Butyltubercidin
TL;DR: 5-Butyltubercidin (CAS 87938-38-3) is a chemical compound with molecular formula C15H22N4O4 and molecular weight 322.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-(4-amino-5-butylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 5-Butyltubercidin, 2-(4-Amino-5-butyl-pyrrolo(2,3-d)pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol, 5-Butyl-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, (2R,3R,4S,5R)-2-(4-amino-5-butyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, (2R,3R,4S,5R)-2-(4-amino-5-butylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C15H22N4O4 |
|---|---|
| Molecular Weight | 322.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.1641 |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 87938-38-3 |
|---|---|
| SMILES | CCCCC1=CN(C2=NC=NC(=C12)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | SEADMXXWLAJNQJ-SDBHATRESA-N |
Product Overview
5-Butyltubercidin (CAS 87938-38-3), with molecular formula C15H22N4O4 and molecular weight 322.16 g/mol. IUPAC: (2R,3R,4S,5R)-2-(4-amino-5-butylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 5-Butyltubercidin
Property Insights of 5-Butyltubercidin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyltubercidin. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Butyltubercidin. Following Lipinski's Rule of Five, 5-Butyltubercidin has 4 hydrogen bond donor(s) and 7 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 5-Butyltubercidin?
The CAS number of 5-Butyltubercidin is 87938-38-3.
What is the molecular formula of 5-Butyltubercidin?
The molecular formula of 5-Butyltubercidin is C15H22N4O4.
What is the molecular weight of 5-Butyltubercidin?
The molecular weight of 5-Butyltubercidin is 322.16 g/mol.
Where can I buy 5-Butyltubercidin?
You can request a quote for 5-Butyltubercidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyltubercidin?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyltubercidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.