RefChem:1080813
TL;DR: RefChem:1080813 (CAS 63753-45-7) is a chemical compound with molecular formula C20H28N4O4S2 and molecular weight 452.16 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]-4-pentylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
Also Known As: Carbamic acid, (3-(2-(((dimethylamino)acetyl)amino)-4-(pentylthio)phenyl)-4-oxo-2-thiazolidinylidene)-, methyl ester, 3-(2-(2-Dimethylaminoacetamido)-4-n-pentylthio-phenyl)-2-methoxycarbonyliminothiazolidin-4-one, RefChem:1080813
| Molecular Formula | C20H28N4O4S2 |
|---|---|
| Molecular Weight | 452.16 g/mol |
| LogP | 3.6712 |
| Topological Polar Surface Area | 91.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.1552 |
| Heavy Atoms | 30 |
| Complexity | 813.9963 |
Chemical Identifiers
| CAS Number | 63753-45-7 |
|---|---|
| SMILES | CCCCCSC1=CC(=C(C=C1)N\2C(=O)CS/C2=N\C(=O)OC)NC(=O)CN(C)C |
Product Overview
RefChem:1080813 (CAS 63753-45-7), with molecular formula C20H28N4O4S2 and molecular weight 452.16 g/mol. IUPAC: methyl (NZ)-N-[3-[2-[[2-(dimethylamino)acetyl]amino]-4-pentylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate.
Chemical Property Profile of RefChem:1080813
Property Insights of RefChem:1080813
The XLogP value of 3.6712 indicates that RefChem:1080813 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:1080813. Following Lipinski's Rule of Five, RefChem:1080813 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:1080813?
The CAS number of RefChem:1080813 is 63753-45-7.
What is the molecular formula of RefChem:1080813?
The molecular formula of RefChem:1080813 is C20H28N4O4S2.
What is the molecular weight of RefChem:1080813?
The molecular weight of RefChem:1080813 is 452.16 g/mol.
Where can I buy RefChem:1080813?
You can request a quote for RefChem:1080813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080813?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.