8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate
TL;DR: 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate (CAS 14564-87-5) is a chemical compound with molecular formula C14H15BrN5O8PS and molecular weight 522.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione
Also Known As: 8-Bdb-tcamp, KST-1B0513, 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate, 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine cyclic 3',5'-(hydrogen phosphate), 1-({6-amino-9-[(4ar,6r,7r,7as)-2,7-dihydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9h-purin-8-yl}sulfanyl)-4-bromobutane-2,3-dione
| Molecular Formula | C14H15BrN5O8PS |
|---|---|
| Molecular Weight | 522.96 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.95624 |
| Heavy Atoms | 30 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 14564-87-5 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3SCC(=O)C(=O)CBr)N)O)OP(=O)(O1)O |
| InChIKey | JGDFZHBKKZIZEX-QYVSTXNMSA-N |
Product Overview
8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate (CAS 14564-87-5), with molecular formula C14H15BrN5O8PS and molecular weight 522.96 g/mol. IUPAC: 1-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-aminopurin-8-yl]sulfanyl-4-bromobutane-2,3-dione.
Chemical Property Profile of 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate
Property Insights of 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate
The XLogP value of -1.5 indicates that 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate?
The CAS number of 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate is 14564-87-5.
What is the molecular formula of 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate?
The molecular formula of 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate is C14H15BrN5O8PS.
What is the molecular weight of 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate?
The molecular weight of 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate is 522.96 g/mol.
Where can I buy 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate?
You can request a quote for 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 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 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-Bromo-2,3-dioxobutyl)thio)-adenosine 3',5'-cyclic monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.