UPCMLD0ENAT0503-8615:001
TL;DR: UPCMLD0ENAT0503-8615:001 (CAS 325977-20-6) is a chemical compound with molecular formula C17H14F2N2OS and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,6-difluorobenzamide
Also Known As: UPCMLD0ENAT0503-8615:001, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,6-difluorobenzamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2,6-difluorobenzamide, N~1~-(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-2,6-DIFLUOROBENZAMIDE
| Molecular Formula | C17H14F2N2OS |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 4.27508 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.0795 |
| Heavy Atoms | 23 |
| Complexity | 802.4813 |
Chemical Identifiers
| CAS Number | 325977-20-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=CC=C3F)F |
Product Overview
UPCMLD0ENAT0503-8615:001 (CAS 325977-20-6), with molecular formula C17H14F2N2OS and molecular weight 332.08 g/mol. IUPAC: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,6-difluorobenzamide.
Chemical Property Profile of UPCMLD0ENAT0503-8615:001
Property Insights of UPCMLD0ENAT0503-8615:001
The XLogP value of 4.27508 indicates that UPCMLD0ENAT0503-8615:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, UPCMLD0ENAT0503-8615:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0503-8615:001 has 1 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 UPCMLD0ENAT0503-8615:001?
The CAS number of UPCMLD0ENAT0503-8615:001 is 325977-20-6.
What is the molecular formula of UPCMLD0ENAT0503-8615:001?
The molecular formula of UPCMLD0ENAT0503-8615:001 is C17H14F2N2OS.
What is the molecular weight of UPCMLD0ENAT0503-8615:001?
The molecular weight of UPCMLD0ENAT0503-8615:001 is 332.08 g/mol.
Where can I buy UPCMLD0ENAT0503-8615:001?
You can request a quote for UPCMLD0ENAT0503-8615:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0503-8615:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0503-8615:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.