BAS 00731350
TL;DR: BAS 00731350 (CAS 31043-42-2) is a chemical compound with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2E)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid
Also Known As: BAS 00731350, BRD-K05178113-001-01-6, 3-[(2E)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid, 3-(2-{2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-thioxo-4-imidazolidinylidene]ethylidene}-1,3-benzoxazol-3(2H)-yl)propanoic acid, 3-((E)-2-((Z)-2-(3-(2-hydroxyethyl)-5-oxo-1-propyl-2-thioxoimidazolidin-4-ylidene)ethylidene)benzo[d]oxazol-3(2H)-yl)propanoic acid
| Molecular Formula | C20H23N3O5S |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 1.9168 |
| Topological Polar Surface Area | 93.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.13583 |
| Heavy Atoms | 29 |
| Complexity | 882.62256 |
Chemical Identifiers
| CAS Number | 31043-42-2 |
|---|---|
| SMILES | CCCN1C(=O)/C(=C/C=C/2\N(C3=CC=CC=C3O2)CCC(=O)O)/N(C1=S)CCO |
Product Overview
BAS 00731350 (CAS 31043-42-2), with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol. IUPAC: 3-[(2E)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid.
Chemical Property Profile of BAS 00731350
Property Insights of BAS 00731350
The XLogP value of 1.9168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00731350. The TPSA of 93.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00731350. Following Lipinski's Rule of Five, BAS 00731350 has 2 hydrogen bond donor(s) and 6 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 00731350?
The CAS number of BAS 00731350 is 31043-42-2.
What is the molecular formula of BAS 00731350?
The molecular formula of BAS 00731350 is C20H23N3O5S.
What is the molecular weight of BAS 00731350?
The molecular weight of BAS 00731350 is 417.14 g/mol.
Where can I buy BAS 00731350?
You can request a quote for BAS 00731350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00731350?
Yes, KEHONG BIO provides custom synthesis services for BAS 00731350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.