A2652/0113031
TL;DR: A2652/0113031 (CAS 496941-66-3) is a chemical compound with molecular formula C28H27N3O6S and molecular weight 533.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: A2652/0113031, methyl 4-({[3-(3,4-dimethoxybenzyl)-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, methyl 4-(2-(3-(3,4-dimethoxybenzyl)-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate, METHYL 4-(2-{3-[(3,4-DIMETHOXYPHENYL)METHYL]-5-OXO-1-PHENYL-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, methyl 4-(2-{3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-phenyl-2-thioxo-1,3-diazo lidin-4-yl}acetylamino)benzoate
| Molecular Formula | C28H27N3O6S |
|---|---|
| Molecular Weight | 533.16 g/mol |
| LogP | 4.0215 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.16205 |
| Heavy Atoms | 38 |
| Complexity | 1346.4547 |
Chemical Identifiers
| CAS Number | 496941-66-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C(C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC)OC |
Product Overview
A2652/0113031 (CAS 496941-66-3), with molecular formula C28H27N3O6S and molecular weight 533.16 g/mol. IUPAC: methyl 4-[[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of A2652/0113031
Property Insights of A2652/0113031
The XLogP value of 4.0215 indicates that A2652/0113031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A2652/0113031. Following Lipinski's Rule of Five, A2652/0113031 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2652/0113031?
The CAS number of A2652/0113031 is 496941-66-3.
What is the molecular formula of A2652/0113031?
The molecular formula of A2652/0113031 is C28H27N3O6S.
What is the molecular weight of A2652/0113031?
The molecular weight of A2652/0113031 is 533.16 g/mol.
Where can I buy A2652/0113031?
You can request a quote for A2652/0113031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2652/0113031?
Yes, KEHONG BIO provides custom synthesis services for A2652/0113031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.