UPCMLD0ENAT5980925:001
TL;DR: UPCMLD0ENAT5980925:001 (CAS 431981-22-5) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: UPCMLD0ENAT5980925:001, AB00118937-01, 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2-methoxyphenoxy)-N-[3-(N-prop-2-enylcarbamoyl)(4,5,6,7-tetrahydrobenzo[b]t hiophen-2-yl)]acetamide, 2-{[(2-methoxyphenoxy)acetyl]amino}-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.5688 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 875.2857 |
Chemical Identifiers
| CAS Number | 431981-22-5 |
|---|---|
| SMILES | COC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC=C |
Product Overview
UPCMLD0ENAT5980925:001 (CAS 431981-22-5), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5980925:001
Property Insights of UPCMLD0ENAT5980925:001
The XLogP value of 3.5688 indicates that UPCMLD0ENAT5980925:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5980925:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5980925:001 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 UPCMLD0ENAT5980925:001?
The CAS number of UPCMLD0ENAT5980925:001 is 431981-22-5.
What is the molecular formula of UPCMLD0ENAT5980925:001?
The molecular formula of UPCMLD0ENAT5980925:001 is C21H24N2O4S.
What is the molecular weight of UPCMLD0ENAT5980925:001?
The molecular weight of UPCMLD0ENAT5980925:001 is 400.15 g/mol.
Where can I buy UPCMLD0ENAT5980925:001?
You can request a quote for UPCMLD0ENAT5980925:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5980925:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5980925:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.