UPCMLD0ENAT0518-9769:001
TL;DR: UPCMLD0ENAT0518-9769:001 (CAS 736153-11-0) is a chemical compound with molecular formula C17H18ClN3O3S2 and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-2-(dimethylcarbamoylcarbamothioylamino)thiophene-3-carboxylate
Also Known As: UPCMLD0ENAT0518-9769:001, ethyl 4-(4-chlorophenyl)-2-(3-(dimethylcarbamoyl)thioureido)thiophene-3-carboxylate, ethyl 4-(4-chlorophenyl)-2-(dimethylcarbamoylcarbamothioylamino)thiophene-3-carboxylate, ethyl 4-(4-chlorophenyl)-2-{[(dimethylcarbamoyl)carbamothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C17H18ClN3O3S2 |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 4.2132 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.04782 |
| Heavy Atoms | 26 |
| Complexity | 819.16064 |
Chemical Identifiers
| CAS Number | 736153-11-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=S)NC(=O)N(C)C |
Product Overview
UPCMLD0ENAT0518-9769:001 (CAS 736153-11-0), with molecular formula C17H18ClN3O3S2 and molecular weight 411.05 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-2-(dimethylcarbamoylcarbamothioylamino)thiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0518-9769:001
Property Insights of UPCMLD0ENAT0518-9769:001
The XLogP value of 4.2132 indicates that UPCMLD0ENAT0518-9769:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0518-9769:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0518-9769:001 has 2 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 UPCMLD0ENAT0518-9769:001?
The CAS number of UPCMLD0ENAT0518-9769:001 is 736153-11-0.
What is the molecular formula of UPCMLD0ENAT0518-9769:001?
The molecular formula of UPCMLD0ENAT0518-9769:001 is C17H18ClN3O3S2.
What is the molecular weight of UPCMLD0ENAT0518-9769:001?
The molecular weight of UPCMLD0ENAT0518-9769:001 is 411.05 g/mol.
Where can I buy UPCMLD0ENAT0518-9769:001?
You can request a quote for UPCMLD0ENAT0518-9769:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0518-9769:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0518-9769:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.