CTK5B9813
TL;DR: CTK5B9813 (CAS 63753-35-5) is a chemical compound with molecular formula C18H22N4O4S2 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[3-[2-[[2-(dimethylamino)acetyl]amino]-4-prop-2-enylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
Also Known As: 3-(4-Allylthio-2-(2-dimethylaminoacetamido)phenyl)-2-methoxycarbonyliminothiazolidin-4-one, Carbamic acid, (3-(2-(((dimethylamino)acetyl)amino)-4-(2-propenylthio)phenyl)-4-oxo-2-thiazolidinylidene)-, methyl ester, METHYL (NZ)-N-[3-[2-[(2-DIMETHYLAMINOACETYL)AMINO]-4-PROP-2-ENYLSULFANYL-PHENYL]-4-OXO-THIAZOLIDIN-2-YLIDENE]CARBAMATE
| Molecular Formula | C18H22N4O4S2 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 2.667 |
| Topological Polar Surface Area | 91.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.10825 |
| Heavy Atoms | 28 |
| Complexity | 810.7754 |
Chemical Identifiers
| CAS Number | 63753-35-5 |
|---|---|
| SMILES | CN(C)CC(=O)NC1=C(C=CC(=C1)SCC=C)N2C(=O)CSC2=NC(=O)OC |
Product Overview
CTK5B9813 (CAS 63753-35-5), with molecular formula C18H22N4O4S2 and molecular weight 422.11 g/mol. IUPAC: methyl N-[3-[2-[[2-(dimethylamino)acetyl]amino]-4-prop-2-enylsulfanylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]carbamate.
Chemical Property Profile of CTK5B9813
Property Insights of CTK5B9813
The XLogP value of 2.667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5B9813. The TPSA of 91.31 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5B9813. Following Lipinski's Rule of Five, CTK5B9813 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 CTK5B9813?
The CAS number of CTK5B9813 is 63753-35-5.
What is the molecular formula of CTK5B9813?
The molecular formula of CTK5B9813 is C18H22N4O4S2.
What is the molecular weight of CTK5B9813?
The molecular weight of CTK5B9813 is 422.11 g/mol.
Where can I buy CTK5B9813?
You can request a quote for CTK5B9813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5B9813?
Yes, KEHONG BIO provides custom synthesis services for CTK5B9813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.