BAS 00689427
TL;DR: BAS 00689427 (CAS 312735-17-4) is a chemical compound with molecular formula C16H14ClN3O2S and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00689427, BIM-0027613.P001, AB00145335-02, F1011-1544, N-(4-chlorophenyl)-6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
| Molecular Formula | C16H14ClN3O2S |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 3.6681 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.04953 |
| Heavy Atoms | 23 |
| Complexity | 769.1329 |
Chemical Identifiers
| CAS Number | 312735-17-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
BAS 00689427 (CAS 312735-17-4), with molecular formula C16H14ClN3O2S and molecular weight 347.05 g/mol. IUPAC: N-(4-chlorophenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00689427
Property Insights of BAS 00689427
The XLogP value of 3.6681 indicates that BAS 00689427 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00689427. Following Lipinski's Rule of Five, BAS 00689427 has 3 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 BAS 00689427?
The CAS number of BAS 00689427 is 312735-17-4.
What is the molecular formula of BAS 00689427?
The molecular formula of BAS 00689427 is C16H14ClN3O2S.
What is the molecular weight of BAS 00689427?
The molecular weight of BAS 00689427 is 347.05 g/mol.
Where can I buy BAS 00689427?
You can request a quote for BAS 00689427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689427?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.