AB00659512-02
TL;DR: AB00659512-02 (CAS 674329-51-2) is a chemical compound with molecular formula C19H21N9O3S and molecular weight 455.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-morpholin-4-yl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
Also Known As: AB00659512-02, AB00659512-07, F0570-0074, 3-methyl-8-morpholin-4-yl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione, 3-methyl-8-morpholino-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H21N9O3S |
|---|---|
| Molecular Weight | 455.15 g/mol |
| LogP | 0.0279 |
| Topological Polar Surface Area | 128.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.1488 |
| Heavy Atoms | 32 |
| Complexity | 1352.1263 |
Chemical Identifiers
| CAS Number | 674329-51-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=NN=NN4C5=CC=CC=C5 |
Product Overview
AB00659512-02 (CAS 674329-51-2), with molecular formula C19H21N9O3S and molecular weight 455.15 g/mol. IUPAC: 3-methyl-8-morpholin-4-yl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of AB00659512-02
Property Insights of AB00659512-02
The XLogP value of 0.0279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00659512-02. The TPSA of 128.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00659512-02. Following Lipinski's Rule of Five, AB00659512-02 has 1 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 AB00659512-02?
The CAS number of AB00659512-02 is 674329-51-2.
What is the molecular formula of AB00659512-02?
The molecular formula of AB00659512-02 is C19H21N9O3S.
What is the molecular weight of AB00659512-02?
The molecular weight of AB00659512-02 is 455.15 g/mol.
Where can I buy AB00659512-02?
You can request a quote for AB00659512-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00659512-02?
Yes, KEHONG BIO provides custom synthesis services for AB00659512-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.