5-(Methoxycarbonyl)tubercidin
TL;DR: 5-(Methoxycarbonyl)tubercidin (CAS 21325-46-2) is a chemical compound with molecular formula C13H16N4O6 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylate
Also Known As: 5-(Methoxycarbonyl)tubercidin, Desamidosangivamycin-methylester, 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxylic acid, 4-amino-7-beta-D-ribofuranosyl-, methyl ester, methyl 4-amino-7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylate, methyl 4-amino-7-(
| Molecular Formula | C13H16N4O6 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.107 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 21325-46-2 |
|---|---|
| SMILES | COC(=O)C1=CN(C2=NC=NC(=C12)N)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | CEZTWGUUIVXSPB-PPSWKLDYSA-N |
Product Overview
5-(Methoxycarbonyl)tubercidin (CAS 21325-46-2), with molecular formula C13H16N4O6 and molecular weight 324.11 g/mol. IUPAC: methyl 4-amino-7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylate.
Chemical Property Profile of 5-(Methoxycarbonyl)tubercidin
Property Insights of 5-(Methoxycarbonyl)tubercidin
The XLogP value of -1.5 indicates that 5-(Methoxycarbonyl)tubercidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting 5-(Methoxycarbonyl)tubercidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(Methoxycarbonyl)tubercidin has 4 hydrogen bond donor(s) and 9 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-(Methoxycarbonyl)tubercidin?
The CAS number of 5-(Methoxycarbonyl)tubercidin is 21325-46-2.
What is the molecular formula of 5-(Methoxycarbonyl)tubercidin?
The molecular formula of 5-(Methoxycarbonyl)tubercidin is C13H16N4O6.
What is the molecular weight of 5-(Methoxycarbonyl)tubercidin?
The molecular weight of 5-(Methoxycarbonyl)tubercidin is 324.11 g/mol.
Where can I buy 5-(Methoxycarbonyl)tubercidin?
You can request a quote for 5-(Methoxycarbonyl)tubercidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methoxycarbonyl)tubercidin?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methoxycarbonyl)tubercidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.