BAS 07023828
TL;DR: BAS 07023828 (CAS 694460-08-7) is a chemical compound with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: BAS 07023828, ethyl 4-(2-((1-allyl-6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate, 4-[2-(1-Allyl-6-amino-4-oxo-1,4-dihydro-pyrimidin-2-ylsulfanyl)-acetylamino]-benzoic acid ethyl ester, ETHYL 4-(2-{[6-AMINO-4-OXO-1-(PROP-2-EN-1-YL)-1,4-DIHYDROPYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)BENZOATE
| Molecular Formula | C18H20N4O4S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 1.919 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.1205 |
| Heavy Atoms | 27 |
| Complexity | 893.2249 |
Chemical Identifiers
| CAS Number | 694460-08-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N |
Product Overview
BAS 07023828 (CAS 694460-08-7), with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol. IUPAC: ethyl 4-[[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of BAS 07023828
Property Insights of BAS 07023828
The XLogP value of 1.919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07023828. The TPSA of 116.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07023828. Following Lipinski's Rule of Five, BAS 07023828 has 2 hydrogen bond donor(s) and 7 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 07023828?
The CAS number of BAS 07023828 is 694460-08-7.
What is the molecular formula of BAS 07023828?
The molecular formula of BAS 07023828 is C18H20N4O4S.
What is the molecular weight of BAS 07023828?
The molecular weight of BAS 07023828 is 388.12 g/mol.
Where can I buy BAS 07023828?
You can request a quote for BAS 07023828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07023828?
Yes, KEHONG BIO provides custom synthesis services for BAS 07023828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.