6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole
TL;DR: 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole (CAS 52831-44-4) is a chemical compound with molecular formula C19H12FNS and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-4-thia-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5(10),6,8,14,16,18,20-nonaene
Also Known As: 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-Dihydro-2-fluoro-benzo(g)(1)benzothiopyrano(4,3-b)indole, Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-2-fluoro-, Benzo(g)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-2-fluoro-, 2-Fluoro-6,13-dihydrobenzo[g][1]benzothiopyrano[4,3-b]indole
| Molecular Formula | C19H12FNS |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.06744 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 52831-44-4 |
|---|---|
| SMILES | C1C2=C(C3=C(S1)C=CC(=C3)F)NC4=C2C=CC5=CC=CC=C54 |
| InChIKey | MDZIXYUCKQHONS-UHFFFAOYSA-N |
Product Overview
6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole (CAS 52831-44-4), with molecular formula C19H12FNS and molecular weight 305.07 g/mol. IUPAC: 8-fluoro-4-thia-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5(10),6,8,14,16,18,20-nonaene.
Chemical Property Profile of 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole
Property Insights of 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole
The XLogP value of 5.1 indicates that 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole?
The CAS number of 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole is 52831-44-4.
What is the molecular formula of 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole?
The molecular formula of 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole is C19H12FNS.
What is the molecular weight of 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole?
The molecular weight of 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole is 305.07 g/mol.
Where can I buy 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole?
You can request a quote for 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole?
Yes, KEHONG BIO provides custom synthesis services for 6,13-Dihydro-2-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.