2-sulfide
TL;DR: 2-sulfide (CAS 127634-20-2) is a chemical compound with molecular formula C10H11BrN5O5PS and molecular weight 422.94 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-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Also Known As: 2-sulfide, 8-bromo-Sp-cAMPS, (Sp)-8-bromo-cAMPS, Sp-8-Br-cAMPS, 8-Br-cAMPS
| Molecular Formula | C10H11BrN5O5PS |
|---|---|
| Molecular Weight | 422.94 g/mol |
| LogP | 0.0615 |
| Topological Polar Surface Area | 137.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 422.9402 |
| Heavy Atoms | 23 |
| Complexity | 835.3197 |
Chemical Identifiers
| CAS Number | 127634-20-2 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=S)(O1)O |
Product Overview
2-sulfide (CAS 127634-20-2), with molecular formula C10H11BrN5O5PS and molecular weight 422.94 g/mol. IUPAC: (4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol.
Chemical Property Profile of 2-sulfide
Property Insights of 2-sulfide
The XLogP value of 0.0615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-sulfide. The TPSA of 137.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-sulfide. Following Lipinski's Rule of Five, 2-sulfide has 3 hydrogen bond donor(s) and 9 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 2-sulfide?
The CAS number of 2-sulfide is 127634-20-2.
What is the molecular formula of 2-sulfide?
The molecular formula of 2-sulfide is C10H11BrN5O5PS.
What is the molecular weight of 2-sulfide?
The molecular weight of 2-sulfide is 422.94 g/mol.
Where can I buy 2-sulfide?
You can request a quote for 2-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.