BAS 02866994
TL;DR: BAS 02866994 (CAS 1093412-76-0) is a chemical compound with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: BAS 02866994, methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate, methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, methyl 4-(2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, METHYL 4-(2-{3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-1-METHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE
| Molecular Formula | C22H21N3O6S |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 2.1582 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.1151 |
| Heavy Atoms | 32 |
| Complexity | 1087.5737 |
Chemical Identifiers
| CAS Number | 1093412-76-0 |
|---|---|
| SMILES | CN1C(=O)C(N(C1=S)CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
BAS 02866994 (CAS 1093412-76-0), with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol. IUPAC: methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02866994
Property Insights of BAS 02866994
The XLogP value of 2.1582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02866994. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02866994. Following Lipinski's Rule of Five, BAS 02866994 has 1 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 02866994?
The CAS number of BAS 02866994 is 1093412-76-0.
What is the molecular formula of BAS 02866994?
The molecular formula of BAS 02866994 is C22H21N3O6S.
What is the molecular weight of BAS 02866994?
The molecular weight of BAS 02866994 is 455.12 g/mol.
Where can I buy BAS 02866994?
You can request a quote for BAS 02866994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02866994?
Yes, KEHONG BIO provides custom synthesis services for BAS 02866994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.