BAS 00316880
TL;DR: BAS 00316880 (CAS 299406-82-9) is a chemical compound with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00316880, allyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, prop-2-en-1-yl 4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, prop-2-enyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, PROP-2-EN-1-YL 4-(2,5-DIMETHOXYPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 2.2258 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 699.831 |
Chemical Identifiers
| CAS Number | 299406-82-9 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)OCC=C |
Product Overview
BAS 00316880 (CAS 299406-82-9), with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol. IUPAC: prop-2-enyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00316880
Property Insights of BAS 00316880
The XLogP value of 2.2258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00316880. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00316880. Following Lipinski's Rule of Five, BAS 00316880 has 2 hydrogen bond donor(s) and 5 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 00316880?
The CAS number of BAS 00316880 is 299406-82-9.
What is the molecular formula of BAS 00316880?
The molecular formula of BAS 00316880 is C17H20N2O4S.
What is the molecular weight of BAS 00316880?
The molecular weight of BAS 00316880 is 348.11 g/mol.
Where can I buy BAS 00316880?
You can request a quote for BAS 00316880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00316880?
Yes, KEHONG BIO provides custom synthesis services for BAS 00316880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.