AB00531936-02
TL;DR: AB00531936-02 (CAS 838898-91-2) is a chemical compound with molecular formula C13H13N5O2S2 and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione
Also Known As: AB00531936-02, 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione, 7-Allyl-3-methyl-8-(4-methyl-thiazol-2-ylsulfanyl)-3,7-dihydro-purine-2,6-dione, 7-allyl-3-methyl-8-((4-methylthiazol-2-yl)thio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C13H13N5O2S2 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 1.52542 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.05106 |
| Heavy Atoms | 22 |
| Complexity | 978.62573 |
Chemical Identifiers
| CAS Number | 838898-91-2 |
|---|---|
| SMILES | CC1=CSC(=N1)SC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C |
Product Overview
AB00531936-02 (CAS 838898-91-2), with molecular formula C13H13N5O2S2 and molecular weight 335.05 g/mol. IUPAC: 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of AB00531936-02
Property Insights of AB00531936-02
The XLogP value of 1.52542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00531936-02. The TPSA of 85.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00531936-02. Following Lipinski's Rule of Five, AB00531936-02 has 1 hydrogen bond donor(s) and 6 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 AB00531936-02?
The CAS number of AB00531936-02 is 838898-91-2.
What is the molecular formula of AB00531936-02?
The molecular formula of AB00531936-02 is C13H13N5O2S2.
What is the molecular weight of AB00531936-02?
The molecular weight of AB00531936-02 is 335.05 g/mol.
Where can I buy AB00531936-02?
You can request a quote for AB00531936-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00531936-02?
Yes, KEHONG BIO provides custom synthesis services for AB00531936-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.