UPCMLD0ENAT5967564:001
TL;DR: UPCMLD0ENAT5967564:001 (CAS 381680-10-0) is a chemical compound with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: UPCMLD0ENAT5967564:001, 2-(2-nitrobenzamido)-N-((tetrahydrofuran-2-yl)methyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, AB00116571-01, F1056-0332, 2-(2-nitrobenzamido)-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H23N3O5S |
|---|---|
| Molecular Weight | 429.14 g/mol |
| LogP | 3.6962 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.13583 |
| Heavy Atoms | 30 |
| Complexity | 981.0166 |
Chemical Identifiers
| CAS Number | 381680-10-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4CCCO4 |
Product Overview
UPCMLD0ENAT5967564:001 (CAS 381680-10-0), with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol. IUPAC: 2-[(2-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5967564:001
Property Insights of UPCMLD0ENAT5967564:001
The XLogP value of 3.6962 indicates that UPCMLD0ENAT5967564:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5967564:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5967564:001 has 2 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5967564:001?
The CAS number of UPCMLD0ENAT5967564:001 is 381680-10-0.
What is the molecular formula of UPCMLD0ENAT5967564:001?
The molecular formula of UPCMLD0ENAT5967564:001 is C21H23N3O5S.
What is the molecular weight of UPCMLD0ENAT5967564:001?
The molecular weight of UPCMLD0ENAT5967564:001 is 429.14 g/mol.
Where can I buy UPCMLD0ENAT5967564:001?
You can request a quote for UPCMLD0ENAT5967564:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5967564:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5967564:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.