BAS 00480017
TL;DR: BAS 00480017 (CAS 333394-72-2) is a chemical compound with molecular formula C26H21IN2O3S and molecular weight 568.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3,4-dimethylphenyl)-5-[(3-iodo-4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 00480017, (5E)-1-(3,4-dimethylphenyl)-5-[(3-iodo-4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(3,4-dimethylphenyl)-5-(3-iodo-4-methoxybenzylidene)-3-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C26H21IN2O3S |
|---|---|
| Molecular Weight | 568.03 g/mol |
| LogP | 5.66494 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 568.03174 |
| Heavy Atoms | 33 |
| Complexity | 1304.144 |
Chemical Identifiers
| CAS Number | 333394-72-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)I)/C(=O)N(C2=S)C4=CC=CC=C4)C |
Product Overview
BAS 00480017 (CAS 333394-72-2), with molecular formula C26H21IN2O3S and molecular weight 568.03 g/mol. IUPAC: (5E)-1-(3,4-dimethylphenyl)-5-[(3-iodo-4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BAS 00480017
Property Insights of BAS 00480017
The XLogP value of 5.66494 indicates that BAS 00480017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, BAS 00480017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00480017 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 00480017?
The CAS number of BAS 00480017 is 333394-72-2.
What is the molecular formula of BAS 00480017?
The molecular formula of BAS 00480017 is C26H21IN2O3S.
What is the molecular weight of BAS 00480017?
The molecular weight of BAS 00480017 is 568.03 g/mol.
Where can I buy BAS 00480017?
You can request a quote for BAS 00480017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00480017?
Yes, KEHONG BIO provides custom synthesis services for BAS 00480017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.