5-n-Butylcytidine 5'-monophosphate
TL;DR: 5-n-Butylcytidine 5'-monophosphate (CAS 117340-75-7) is a chemical compound with molecular formula C13H22N3O8P and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(4-amino-5-butyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 5-n-Butylcytidine 5'-monophosphate, 5-Butylcytidine 5'-(dihydrogen phosphate), [(2R,3S,4R,5R)-5-(4-amino-5-butyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate, [(2R,3S,4R,5R)-5-(4-amino-5-butyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
| Molecular Formula | C13H22N3O8P |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.11444 |
| Heavy Atoms | 25 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 117340-75-7 |
|---|---|
| SMILES | CCCCC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| InChIKey | SBMCVKLRAARGNH-DNRKLUKYSA-N |
Product Overview
5-n-Butylcytidine 5'-monophosphate (CAS 117340-75-7), with molecular formula C13H22N3O8P and molecular weight 379.11 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(4-amino-5-butyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5-n-Butylcytidine 5'-monophosphate
Property Insights of 5-n-Butylcytidine 5'-monophosphate
The XLogP value of -2.1 indicates that 5-n-Butylcytidine 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 5-n-Butylcytidine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-n-Butylcytidine 5'-monophosphate has 5 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 5-n-Butylcytidine 5'-monophosphate?
The CAS number of 5-n-Butylcytidine 5'-monophosphate is 117340-75-7.
What is the molecular formula of 5-n-Butylcytidine 5'-monophosphate?
The molecular formula of 5-n-Butylcytidine 5'-monophosphate is C13H22N3O8P.
What is the molecular weight of 5-n-Butylcytidine 5'-monophosphate?
The molecular weight of 5-n-Butylcytidine 5'-monophosphate is 379.11 g/mol.
Where can I buy 5-n-Butylcytidine 5'-monophosphate?
You can request a quote for 5-n-Butylcytidine 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-n-Butylcytidine 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for 5-n-Butylcytidine 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.