5'-Cytidylic acid, 5-bromo-
TL;DR: 5'-Cytidylic acid, 5-bromo- (CAS 4181-56-0) is a chemical compound with molecular formula C9H13BrN3O8P and molecular weight 400.96 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-bromo-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 5'-Cytidylic acid, 5-bromo-, 5'-Cytidylic acid,5-bromo, 5-bromocytidine 5'-monophosphate, 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ((2R,3S,4R,5R)-5-(4-Amino-5-bromo-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
| Molecular Formula | C9H13BrN3O8P |
|---|---|
| Molecular Weight | 400.96 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.96237 |
| Heavy Atoms | 22 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 4181-56-0 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)Br |
| InChIKey | KOHPTSGPCYTYFB-UAKXSSHOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5'-Cytidylic acid, 5-bromo- (CAS 4181-56-0), with molecular formula C9H13BrN3O8P and molecular weight 400.96 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(4-amino-5-bromo-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5'-Cytidylic acid, 5-bromo-
Property Insights of 5'-Cytidylic acid, 5-bromo-
The XLogP value of -3.1 indicates that 5'-Cytidylic acid, 5-bromo- 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'-Cytidylic acid, 5-bromo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Cytidylic acid, 5-bromo- 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'-Cytidylic acid, 5-bromo-?
The CAS number of 5'-Cytidylic acid, 5-bromo- is 4181-56-0.
What is the molecular formula of 5'-Cytidylic acid, 5-bromo-?
The molecular formula of 5'-Cytidylic acid, 5-bromo- is C9H13BrN3O8P.
What is the molecular weight of 5'-Cytidylic acid, 5-bromo-?
The molecular weight of 5'-Cytidylic acid, 5-bromo- is 400.96 g/mol.
Where can I buy 5'-Cytidylic acid, 5-bromo-?
You can request a quote for 5'-Cytidylic acid, 5-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Cytidylic acid, 5-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 5'-Cytidylic acid, 5-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.