ZERO/005169
TL;DR: ZERO/005169 (CAS 302822-24-8) is a chemical compound with molecular formula C11H12N2O2S2 and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ZERO/005169, BAS 00486140, BIM-0000835.P001, J1.971.707K, AB00095544-01
| Molecular Formula | C11H12N2O2S2 |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 1.7139 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.03403 |
| Heavy Atoms | 17 |
| Complexity | 479.6707 |
Chemical Identifiers
| CAS Number | 302822-24-8 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=CS2)C(=O)OC |
Product Overview
ZERO/005169 (CAS 302822-24-8), with molecular formula C11H12N2O2S2 and molecular weight 268.03 g/mol. IUPAC: methyl 6-methyl-2-sulfanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ZERO/005169
Property Insights of ZERO/005169
The XLogP value of 1.7139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/005169. With a topological polar surface area (TPSA) of 50.36 Ų, ZERO/005169 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ZERO/005169 has 2 hydrogen bond donor(s) and 4 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 ZERO/005169?
The CAS number of ZERO/005169 is 302822-24-8.
What is the molecular formula of ZERO/005169?
The molecular formula of ZERO/005169 is C11H12N2O2S2.
What is the molecular weight of ZERO/005169?
The molecular weight of ZERO/005169 is 268.03 g/mol.
Where can I buy ZERO/005169?
You can request a quote for ZERO/005169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/005169?
Yes, KEHONG BIO provides custom synthesis services for ZERO/005169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.