starbld0012897
TL;DR: starbld0012897 (CAS 134074-31-0) is a chemical compound with molecular formula C14H14ClFN2O2S and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: starbld0012897, J1.534.675B, ethyl 6-(2-chloro-6-fluorophenyl)-2-mercapto-4-methyl-1,6-dihydropyrimidine-5-carboxylate, F3284-6470, ethyl 6-(2-chloro-6-fluorophenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C14H14ClFN2O2S |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 2.835 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.04486 |
| Heavy Atoms | 21 |
| Complexity | 613.1501 |
Chemical Identifiers
| CAS Number | 134074-31-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC=C2Cl)F)C |
Product Overview
starbld0012897 (CAS 134074-31-0), with molecular formula C14H14ClFN2O2S and molecular weight 328.04 g/mol. IUPAC: ethyl 4-(2-chloro-6-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of starbld0012897
Property Insights of starbld0012897
The XLogP value of 2.835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0012897. With a topological polar surface area (TPSA) of 50.36 Ų, starbld0012897 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, starbld0012897 has 2 hydrogen bond donor(s) and 3 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 starbld0012897?
The CAS number of starbld0012897 is 134074-31-0.
What is the molecular formula of starbld0012897?
The molecular formula of starbld0012897 is C14H14ClFN2O2S.
What is the molecular weight of starbld0012897?
The molecular weight of starbld0012897 is 328.04 g/mol.
Where can I buy starbld0012897?
You can request a quote for starbld0012897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0012897?
Yes, KEHONG BIO provides custom synthesis services for starbld0012897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.