UPCMLD0ENAT5679152:001
TL;DR: UPCMLD0ENAT5679152:001 (CAS 55056-27-4) is a chemical compound with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: UPCMLD0ENAT5679152:001, N,N-Bis-(1-hydroxycylopropyl)-methylamin, ethyl 2-{[(benzoylamino)carbothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, AJ-292/40164481, F0464-0038
| Molecular Formula | C18H18N2O3S2 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.5403 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.0759 |
| Heavy Atoms | 25 |
| Complexity | 815.2287 |
Chemical Identifiers
| CAS Number | 55056-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC=CC=C3 |
Product Overview
UPCMLD0ENAT5679152:001 (CAS 55056-27-4), with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5679152:001
Property Insights of UPCMLD0ENAT5679152:001
The XLogP value of 3.5403 indicates that UPCMLD0ENAT5679152:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5679152:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5679152:001 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 UPCMLD0ENAT5679152:001?
The CAS number of UPCMLD0ENAT5679152:001 is 55056-27-4.
What is the molecular formula of UPCMLD0ENAT5679152:001?
The molecular formula of UPCMLD0ENAT5679152:001 is C18H18N2O3S2.
What is the molecular weight of UPCMLD0ENAT5679152:001?
The molecular weight of UPCMLD0ENAT5679152:001 is 374.08 g/mol.
Where can I buy UPCMLD0ENAT5679152:001?
You can request a quote for UPCMLD0ENAT5679152:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5679152:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5679152:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.