AB00672609-01
TL;DR: AB00672609-01 (CAS 477534-98-8) is a chemical compound with molecular formula C21H13F3N2OS and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-3-(trifluoromethyl)benzamide
Also Known As: AB00672609-01, F0816-0247, N-(4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)-3-(trifluoromethyl)benzamide, N-{5-thia-3-azatetracyclo[6.6.1.0^{2,6}.0^{11,15}]pentadeca-1(15),2(6),3,7,11,13-hexaen-4-yl}-3-(trifluoromethyl)benzamide, N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-3-(trifluoromethyl)benzamide
| Molecular Formula | C21H13F3N2OS |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | 5.8192 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.07007 |
| Heavy Atoms | 28 |
| Complexity | 1259.9592 |
Chemical Identifiers
| CAS Number | 477534-98-8 |
|---|---|
| SMILES | C1CC2=CC3=C(C4=CC=CC1=C24)N=C(S3)NC(=O)C5=CC(=CC=C5)C(F)(F)F |
Product Overview
AB00672609-01 (CAS 477534-98-8), with molecular formula C21H13F3N2OS and molecular weight 398.07 g/mol. IUPAC: N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-3-(trifluoromethyl)benzamide.
Chemical Property Profile of AB00672609-01
Property Insights of AB00672609-01
The XLogP value of 5.8192 indicates that AB00672609-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, AB00672609-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00672609-01 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672609-01?
The CAS number of AB00672609-01 is 477534-98-8.
What is the molecular formula of AB00672609-01?
The molecular formula of AB00672609-01 is C21H13F3N2OS.
What is the molecular weight of AB00672609-01?
The molecular weight of AB00672609-01 is 398.07 g/mol.
Where can I buy AB00672609-01?
You can request a quote for AB00672609-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672609-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672609-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.