BAS 02249213
TL;DR: BAS 02249213 (CAS 473573-94-3) is a chemical compound with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[3-[(4-methoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: BAS 02249213, METHYL 4-(2-{3-[(4-METHOXYPHENYL)METHYL]-1-METHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, methyl 4-[[2-[3-[(4-methoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate, methyl 4-({[3-(4-methoxybenzyl)-1-methyl-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate, methyl 4-({[3-(4-methoxybenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
| Molecular Formula | C22H23N3O5S |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 2.4381 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.13583 |
| Heavy Atoms | 31 |
| Complexity | 991.2109 |
Chemical Identifiers
| CAS Number | 473573-94-3 |
|---|---|
| SMILES | CN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
BAS 02249213 (CAS 473573-94-3), with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol. IUPAC: methyl 4-[[2-[3-[(4-methoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02249213
Property Insights of BAS 02249213
The XLogP value of 2.4381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02249213. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02249213. Following Lipinski's Rule of Five, BAS 02249213 has 1 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 02249213?
The CAS number of BAS 02249213 is 473573-94-3.
What is the molecular formula of BAS 02249213?
The molecular formula of BAS 02249213 is C22H23N3O5S.
What is the molecular weight of BAS 02249213?
The molecular weight of BAS 02249213 is 441.14 g/mol.
Where can I buy BAS 02249213?
You can request a quote for BAS 02249213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02249213?
Yes, KEHONG BIO provides custom synthesis services for BAS 02249213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.