BAS 01360633
TL;DR: BAS 01360633 (CAS 332355-78-9) is a chemical compound with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: BAS 01360633, ethyl 4-[3-[(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate, (E)-ethyl 4-(3-((1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, ethyl 4-(3-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, ethyl 4-(3-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
| Molecular Formula | C28H27N3O4S |
|---|---|
| Molecular Weight | 501.17 g/mol |
| LogP | 4.66454 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.17224 |
| Heavy Atoms | 36 |
| Complexity | 1385.398 |
Chemical Identifiers
| CAS Number | 332355-78-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OCC)C)/C(=O)NC2=S |
Product Overview
BAS 01360633 (CAS 332355-78-9), with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol. IUPAC: ethyl 4-[3-[(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of BAS 01360633
Property Insights of BAS 01360633
The XLogP value of 4.66454 indicates that BAS 01360633 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01360633. Following Lipinski's Rule of Five, BAS 01360633 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01360633?
The CAS number of BAS 01360633 is 332355-78-9.
What is the molecular formula of BAS 01360633?
The molecular formula of BAS 01360633 is C28H27N3O4S.
What is the molecular weight of BAS 01360633?
The molecular weight of BAS 01360633 is 501.17 g/mol.
Where can I buy BAS 01360633?
You can request a quote for BAS 01360633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01360633?
Yes, KEHONG BIO provides custom synthesis services for BAS 01360633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.