AB00434167-05
TL;DR: AB00434167-05 (CAS 851409-15-9) is a chemical compound with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate
Also Known As: AB00434167-05, benzyl 2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetate, F0612-0074, benzyl 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate, benzyl 2-({3,6-dimethyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
| Molecular Formula | C17H18N2O3S2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 2.6525 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.0759 |
| Heavy Atoms | 24 |
| Complexity | 805.4732 |
Chemical Identifiers
| CAS Number | 851409-15-9 |
|---|---|
| SMILES | CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)C |
Product Overview
AB00434167-05 (CAS 851409-15-9), with molecular formula C17H18N2O3S2 and molecular weight 362.08 g/mol. IUPAC: benzyl 2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate.
Chemical Property Profile of AB00434167-05
Property Insights of AB00434167-05
The XLogP value of 2.6525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00434167-05. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00434167-05. Following Lipinski's Rule of Five, AB00434167-05 has 0 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 AB00434167-05?
The CAS number of AB00434167-05 is 851409-15-9.
What is the molecular formula of AB00434167-05?
The molecular formula of AB00434167-05 is C17H18N2O3S2.
What is the molecular weight of AB00434167-05?
The molecular weight of AB00434167-05 is 362.08 g/mol.
Where can I buy AB00434167-05?
You can request a quote for AB00434167-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00434167-05?
Yes, KEHONG BIO provides custom synthesis services for AB00434167-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.