RefChem:1080816
TL;DR: RefChem:1080816 (CAS 63753-38-8) is a chemical compound with molecular formula C21H22N4O4S2 and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (NZ)-N-[3-[2-[[2-(dimethylamino)acetyl]amino]-5-phenylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
Also Known As: 3-(2-(2-Dimethylaminoacetamido)-5-phenylthio-phenyl)-2-methoxycarbonyliminothiazolidin-4-one, Carbamic acid, (3-(2-(((dimethylamino)acetyl)amino)-5-(phenylthio)phenyl)-4-oxo-2-thiazolidinylidene)-, methyl ester, RefChem:1080816
| Molecular Formula | C21H22N4O4S2 |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 3.5401 |
| Topological Polar Surface Area | 91.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.10825 |
| Heavy Atoms | 31 |
| Complexity | 1011.6943 |
Chemical Identifiers
| CAS Number | 63753-38-8 |
|---|---|
| SMILES | CN(C)CC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2)N\3C(=O)CS/C3=N\C(=O)OC |
Product Overview
RefChem:1080816 (CAS 63753-38-8), with molecular formula C21H22N4O4S2 and molecular weight 458.11 g/mol. IUPAC: methyl (NZ)-N-[3-[2-[[2-(dimethylamino)acetyl]amino]-5-phenylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate.
Chemical Property Profile of RefChem:1080816
Property Insights of RefChem:1080816
The XLogP value of 3.5401 indicates that RefChem:1080816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1080816. Following Lipinski's Rule of Five, RefChem:1080816 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 RefChem:1080816?
The CAS number of RefChem:1080816 is 63753-38-8.
What is the molecular formula of RefChem:1080816?
The molecular formula of RefChem:1080816 is C21H22N4O4S2.
What is the molecular weight of RefChem:1080816?
The molecular weight of RefChem:1080816 is 458.11 g/mol.
Where can I buy RefChem:1080816?
You can request a quote for RefChem:1080816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.