UPCMLD0ENAT5967432:001
TL;DR: UPCMLD0ENAT5967432:001 (CAS 431994-36-4) is a chemical compound with molecular formula C19H19ClN2O2S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorobenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: UPCMLD0ENAT5967432:001, AB00117088-01, 2-[(4-chlorobenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(4-chlorophenyl)carbonyl]amino}-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C19H19ClN2O2S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 4.4484 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.08557 |
| Heavy Atoms | 25 |
| Complexity | 811.5767 |
Chemical Identifiers
| CAS Number | 431994-36-4 |
|---|---|
| SMILES | C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
UPCMLD0ENAT5967432:001 (CAS 431994-36-4), with molecular formula C19H19ClN2O2S and molecular weight 374.09 g/mol. IUPAC: 2-[(4-chlorobenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5967432:001
Property Insights of UPCMLD0ENAT5967432:001
The XLogP value of 4.4484 indicates that UPCMLD0ENAT5967432:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, UPCMLD0ENAT5967432:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5967432:001 has 2 hydrogen bond donor(s) and 3 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 UPCMLD0ENAT5967432:001?
The CAS number of UPCMLD0ENAT5967432:001 is 431994-36-4.
What is the molecular formula of UPCMLD0ENAT5967432:001?
The molecular formula of UPCMLD0ENAT5967432:001 is C19H19ClN2O2S.
What is the molecular weight of UPCMLD0ENAT5967432:001?
The molecular weight of UPCMLD0ENAT5967432:001 is 374.09 g/mol.
Where can I buy UPCMLD0ENAT5967432:001?
You can request a quote for UPCMLD0ENAT5967432:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967432:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967432:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.