5-n-Butylcytidine 3',5'-cyclic monophosphate
TL;DR: 5-n-Butylcytidine 3',5'-cyclic monophosphate (CAS 117309-91-8) is a chemical compound with molecular formula C13H20N3O7P and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-butyl-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2-one
Also Known As: 5-n-Butylcytidine 3',5'-cyclic monophosphate, 4-amino-5-butyl-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2-one, Cytidine, 5-butyl-, cyclic 3',5'-(hydrogen phosphate), monoammonium salt (9CI), (6R,7R)-6-(5-Butyl-2-hydroxy-4-iminopyrimidin-1(4H)-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one, 6-(5-Butyl-2-hydroxy-4-iminopyrimidin-1(4H)-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
| Molecular Formula | C13H20N3O7P |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.10388 |
| Heavy Atoms | 24 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 117309-91-8 |
|---|---|
| SMILES | CCCCC1=CN(C(=O)N=C1N)[C@H]2[C@@H](C3C(O2)COP(=O)(O3)O)O |
| InChIKey | CRAQVGQJWSIGOT-LCLYSXEGSA-N |
Product Overview
5-n-Butylcytidine 3',5'-cyclic monophosphate (CAS 117309-91-8), with molecular formula C13H20N3O7P and molecular weight 361.10 g/mol. IUPAC: 4-amino-5-butyl-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2-one.
Chemical Property Profile of 5-n-Butylcytidine 3',5'-cyclic monophosphate
Property Insights of 5-n-Butylcytidine 3',5'-cyclic monophosphate
The XLogP value of -1.4 indicates that 5-n-Butylcytidine 3',5'-cyclic monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting 5-n-Butylcytidine 3',5'-cyclic monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-n-Butylcytidine 3',5'-cyclic monophosphate has 3 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-n-Butylcytidine 3',5'-cyclic monophosphate?
The CAS number of 5-n-Butylcytidine 3',5'-cyclic monophosphate is 117309-91-8.
What is the molecular formula of 5-n-Butylcytidine 3',5'-cyclic monophosphate?
The molecular formula of 5-n-Butylcytidine 3',5'-cyclic monophosphate is C13H20N3O7P.
What is the molecular weight of 5-n-Butylcytidine 3',5'-cyclic monophosphate?
The molecular weight of 5-n-Butylcytidine 3',5'-cyclic monophosphate is 361.10 g/mol.
Where can I buy 5-n-Butylcytidine 3',5'-cyclic monophosphate?
You can request a quote for 5-n-Butylcytidine 3',5'-cyclic 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 3',5'-cyclic monophosphate?
Yes, KEHONG BIO provides custom synthesis services for 5-n-Butylcytidine 3',5'-cyclic monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.