4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP
TL;DR: 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP (CAS 177592-87-9) is a chemical compound with molecular formula C19H20BrN6O10P and molecular weight 602.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Also Known As: Caged 8-Br-camp, 4,5-Dimethoxy-2-nitrobenzyl-8-bromo-camp, KST-1A2646, SID:92098495, 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP, (R)-isomer
| Molecular Formula | C19H20BrN6O10P |
|---|---|
| Molecular Weight | 602.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 602.0162 |
| Heavy Atoms | 37 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 177592-87-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)COP2(=O)OC[C@@H]3[C@@H](O2)[C@H]([C@@H](O3)N4C5=NC=NC(=C5N=C4Br)N)O)[N+](=O)[O-])OC |
| InChIKey | DNPINJJWFMWFRD-KUUOUUIGSA-N |
Product Overview
4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP (CAS 177592-87-9), with molecular formula C19H20BrN6O10P and molecular weight 602.02 g/mol. IUPAC: (4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol.
Chemical Property Profile of 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP
Property Insights of 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP. The TPSA of 208.0 Ų indicates high polarity, suggesting 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP?
The CAS number of 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP is 177592-87-9.
What is the molecular formula of 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP?
The molecular formula of 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP is C19H20BrN6O10P.
What is the molecular weight of 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP?
The molecular weight of 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP is 602.02 g/mol.
Where can I buy 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP?
You can request a quote for 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dimethoxy-2-nitrobenzyl-8-bromo-cAMP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.