N(6)-2'-O-Dibutyryl-8-thiocyclic amp
TL;DR: N(6)-2'-O-Dibutyryl-8-thiocyclic amp (CAS 34409-10-4) is a chemical compound with molecular formula C18H24N5O8PS and molecular weight 501.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)-8-sulfanylidene-7H-purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
Also Known As: N(6)-2'-O-Dibutyryl-8-thiocyclic amp, [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)-8-sulfanylidene-7H-purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate, 3-(2-mercapto-ethyl)-5,5-diphenyl-imidazolidine-2,4-dione, (4aR,6R,7R,7aR)-6-(6-Butanamido-8-sulfanylidene-7,8-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate, Adenosine, 7,8-dihydro-N-(1-oxobutyl)-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate
| Molecular Formula | C18H24N5O8PS |
|---|---|
| Molecular Weight | 501.11 g/mol |
| LogP | 2.35259 |
| Topological Polar Surface Area | 166.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.1083 |
| Heavy Atoms | 33 |
| Complexity | 1168.3969 |
Chemical Identifiers
| CAS Number | 34409-10-4 |
|---|---|
| SMILES | CCCC(=O)NC1=C2C(=NC=N1)N(C(=S)N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCC |
Product Overview
N(6)-2'-O-Dibutyryl-8-thiocyclic amp (CAS 34409-10-4), with molecular formula C18H24N5O8PS and molecular weight 501.11 g/mol. IUPAC: [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)-8-sulfanylidene-7H-purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate.
Chemical Property Profile of N(6)-2'-O-Dibutyryl-8-thiocyclic amp
Property Insights of N(6)-2'-O-Dibutyryl-8-thiocyclic amp
The XLogP value of 2.35259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(6)-2'-O-Dibutyryl-8-thiocyclic amp. The TPSA of 166.89 Ų indicates high polarity, suggesting N(6)-2'-O-Dibutyryl-8-thiocyclic amp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(6)-2'-O-Dibutyryl-8-thiocyclic amp has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(6)-2'-O-Dibutyryl-8-thiocyclic amp?
The CAS number of N(6)-2'-O-Dibutyryl-8-thiocyclic amp is 34409-10-4.
What is the molecular formula of N(6)-2'-O-Dibutyryl-8-thiocyclic amp?
The molecular formula of N(6)-2'-O-Dibutyryl-8-thiocyclic amp is C18H24N5O8PS.
What is the molecular weight of N(6)-2'-O-Dibutyryl-8-thiocyclic amp?
The molecular weight of N(6)-2'-O-Dibutyryl-8-thiocyclic amp is 501.11 g/mol.
Where can I buy N(6)-2'-O-Dibutyryl-8-thiocyclic amp?
You can request a quote for N(6)-2'-O-Dibutyryl-8-thiocyclic amp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(6)-2'-O-Dibutyryl-8-thiocyclic amp?
Yes, KEHONG BIO provides custom synthesis services for N(6)-2'-O-Dibutyryl-8-thiocyclic amp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.