5,6-Dichlorotubercidin
TL;DR: 5,6-Dichlorotubercidin (CAS 78000-57-4) is a chemical compound with molecular formula C11H12Cl2N4O4 and molecular weight 334.02 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-5,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 5,6-dichlorotubercidin, 2-(4-Amino-5,6-dichloro-pyrrolo(2,3-d)pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol, 5,6-Dichloro-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 5,6-Dichloro-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 5,6-Dichloro-7-
| Molecular Formula | C11H12Cl2N4O4 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.02356 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 78000-57-4 |
|---|---|
| SMILES | C1=NC(=C2C(=C(N(C2=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)Cl)N |
| InChIKey | AURHPCAMPHQFCR-BBBNYMBOSA-N |
Product Overview
5,6-Dichlorotubercidin (CAS 78000-57-4), with molecular formula C11H12Cl2N4O4 and molecular weight 334.02 g/mol. IUPAC: (2R,3R,4S,5R)-2-(4-amino-5,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 5,6-Dichlorotubercidin
Property Insights of 5,6-Dichlorotubercidin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dichlorotubercidin. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dichlorotubercidin. Following Lipinski's Rule of Five, 5,6-Dichlorotubercidin 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 5,6-Dichlorotubercidin?
The CAS number of 5,6-Dichlorotubercidin is 78000-57-4.
What is the molecular formula of 5,6-Dichlorotubercidin?
The molecular formula of 5,6-Dichlorotubercidin is C11H12Cl2N4O4.
What is the molecular weight of 5,6-Dichlorotubercidin?
The molecular weight of 5,6-Dichlorotubercidin is 334.02 g/mol.
Where can I buy 5,6-Dichlorotubercidin?
You can request a quote for 5,6-Dichlorotubercidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dichlorotubercidin?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dichlorotubercidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.