BAS 00330696
TL;DR: BAS 00330696 (CAS 331002-75-6) is a chemical compound with molecular formula C27H16Cl2N2O3S and molecular weight 518.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 00330696, 5-[[5-(2,3-Dichlorophenyl)-2-furanyl]methylene]dihydro-1,3-diphenyl-2-thioxo-4,6(1H,5H)-pyrimidinedione, 5-{[5-(2,3-dichlorophenyl)-2-furyl]methylene}-1,3-diphenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{[5-(2,3-DICHLOROPHENYL)FURAN-2-YL]METHYLIDENE}-1,3-DIPHENYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C27H16Cl2N2O3S |
|---|---|
| Molecular Weight | 518.03 g/mol |
| LogP | 7.0017 |
| Topological Polar Surface Area | 53.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.0259 |
| Heavy Atoms | 35 |
| Complexity | 1419.3243 |
Chemical Identifiers
| CAS Number | 331002-75-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)C(=O)N(C2=S)C5=CC=CC=C5 |
Product Overview
BAS 00330696 (CAS 331002-75-6), with molecular formula C27H16Cl2N2O3S and molecular weight 518.03 g/mol. IUPAC: 5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BAS 00330696
Property Insights of BAS 00330696
The XLogP value of 7.0017 indicates that BAS 00330696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.76 Ų, BAS 00330696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00330696 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00330696?
The CAS number of BAS 00330696 is 331002-75-6.
What is the molecular formula of BAS 00330696?
The molecular formula of BAS 00330696 is C27H16Cl2N2O3S.
What is the molecular weight of BAS 00330696?
The molecular weight of BAS 00330696 is 518.03 g/mol.
Where can I buy BAS 00330696?
You can request a quote for BAS 00330696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00330696?
Yes, KEHONG BIO provides custom synthesis services for BAS 00330696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.