RP 8Br-pet-cgmps
TL;DR: RP 8Br-pet-cgmps (CAS 172806-20-1) is a chemical compound with molecular formula C18H15BrN5O6PS and molecular weight 538.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one
Also Known As: RP 8Br-pet-cgmps, 8-Bromo-pet-cyclic gmps, LP-DF003, (Rp)-8-Br-PET-cGMPS, J2.354.009F
| Molecular Formula | C18H15BrN5O6PS |
|---|---|
| Molecular Weight | 538.97 g/mol |
| LogP | 1.6923 |
| Topological Polar Surface Area | 136.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 538.9664 |
| Heavy Atoms | 32 |
| Complexity | 1471.5751 |
Chemical Identifiers
| CAS Number | 172806-20-1 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3Br)O)OP(=S)(O1)O |
Product Overview
RP 8Br-pet-cgmps (CAS 172806-20-1), with molecular formula C18H15BrN5O6PS and molecular weight 538.97 g/mol. IUPAC: 3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one.
Chemical Property Profile of RP 8Br-pet-cgmps
Property Insights of RP 8Br-pet-cgmps
The XLogP value of 1.6923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RP 8Br-pet-cgmps. The TPSA of 136.13 Ų falls within the moderate polarity range, balancing permeability and solubility for RP 8Br-pet-cgmps. Following Lipinski's Rule of Five, RP 8Br-pet-cgmps has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RP 8Br-pet-cgmps?
The CAS number of RP 8Br-pet-cgmps is 172806-20-1.
What is the molecular formula of RP 8Br-pet-cgmps?
The molecular formula of RP 8Br-pet-cgmps is C18H15BrN5O6PS.
What is the molecular weight of RP 8Br-pet-cgmps?
The molecular weight of RP 8Br-pet-cgmps is 538.97 g/mol.
Where can I buy RP 8Br-pet-cgmps?
You can request a quote for RP 8Br-pet-cgmps directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RP 8Br-pet-cgmps?
Yes, KEHONG BIO provides custom synthesis services for RP 8Br-pet-cgmps and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.