UPCMLD0ENAT0503-7184:001
TL;DR: UPCMLD0ENAT0503-7184:001 (CAS 325977-21-7) is a chemical compound with molecular formula C22H16F2N2OS2 and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-difluorobenzamide
Also Known As: UPCMLD0ENAT0503-7184:001, AB00667186-01, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-difluorobenzamide, F0301-0186, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,6-difluorobenzamide
| Molecular Formula | C22H16F2N2OS2 |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 6.4341 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.0672 |
| Heavy Atoms | 29 |
| Complexity | 1191.825 |
Chemical Identifiers
| CAS Number | 325977-21-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC=C3F)F)C4=NC5=CC=CC=C5S4 |
Product Overview
UPCMLD0ENAT0503-7184:001 (CAS 325977-21-7), with molecular formula C22H16F2N2OS2 and molecular weight 426.07 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,6-difluorobenzamide.
Chemical Property Profile of UPCMLD0ENAT0503-7184:001
Property Insights of UPCMLD0ENAT0503-7184:001
The XLogP value of 6.4341 indicates that UPCMLD0ENAT0503-7184:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, UPCMLD0ENAT0503-7184:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0503-7184:001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0503-7184:001?
The CAS number of UPCMLD0ENAT0503-7184:001 is 325977-21-7.
What is the molecular formula of UPCMLD0ENAT0503-7184:001?
The molecular formula of UPCMLD0ENAT0503-7184:001 is C22H16F2N2OS2.
What is the molecular weight of UPCMLD0ENAT0503-7184:001?
The molecular weight of UPCMLD0ENAT0503-7184:001 is 426.07 g/mol.
Where can I buy UPCMLD0ENAT0503-7184:001?
You can request a quote for UPCMLD0ENAT0503-7184:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0503-7184:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0503-7184:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.