A2974/0125346
TL;DR: A2974/0125346 (CAS 1024027-20-0) is a chemical compound with molecular formula C27H33N3O4S and molecular weight 495.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(1-benzyl-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate
Also Known As: A2974/0125346, methyl 4-{[(1-benzyl-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)acetyl]amino}benzoate, METHYL 4-[2-(1-BENZYL-3-HEPTYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL)ACETAMIDO]BENZOATE, methyl 4-(2-(1-benzyl-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-(1-benzyl-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate
| Molecular Formula | C27H33N3O4S |
|---|---|
| Molecular Weight | 495.22 g/mol |
| LogP | 4.7701 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 495.21918 |
| Heavy Atoms | 35 |
| Complexity | 1026.4817 |
Chemical Identifiers
| CAS Number | 1024027-20-0 |
|---|---|
| SMILES | CCCCCCCN1C(C(=O)N(C1=S)CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
A2974/0125346 (CAS 1024027-20-0), with molecular formula C27H33N3O4S and molecular weight 495.22 g/mol. IUPAC: methyl 4-[[2-(1-benzyl-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate.
Chemical Property Profile of A2974/0125346
Property Insights of A2974/0125346
The XLogP value of 4.7701 indicates that A2974/0125346 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A2974/0125346. Following Lipinski's Rule of Five, A2974/0125346 has 1 hydrogen bond donor(s) and 5 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 A2974/0125346?
The CAS number of A2974/0125346 is 1024027-20-0.
What is the molecular formula of A2974/0125346?
The molecular formula of A2974/0125346 is C27H33N3O4S.
What is the molecular weight of A2974/0125346?
The molecular weight of A2974/0125346 is 495.22 g/mol.
Where can I buy A2974/0125346?
You can request a quote for A2974/0125346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2974/0125346?
Yes, KEHONG BIO provides custom synthesis services for A2974/0125346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.