BAS 10853196
TL;DR: BAS 10853196 (CAS 726200-45-9) is a chemical compound with molecular formula C21H21NO2S and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one
Also Known As: BAS 10853196, 11-(2-methoxyphenyl)-3-methyl-3,4,5,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1(2H)-one, A4008/0170875, 11-(2-methoxyphenyl)-3-methyl-2,3,4,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1-ol, 6-(2-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one
| Molecular Formula | C21H21NO2S |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 5.2072 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.1293 |
| Heavy Atoms | 25 |
| Complexity | 858.4795 |
Chemical Identifiers
| CAS Number | 726200-45-9 |
|---|---|
| SMILES | CC1CC2=C(C(SC3=CC=CC=C3N2)C4=CC=CC=C4OC)C(=O)C1 |
Product Overview
BAS 10853196 (CAS 726200-45-9), with molecular formula C21H21NO2S and molecular weight 351.13 g/mol. IUPAC: 6-(2-methoxyphenyl)-9-methyl-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one.
Chemical Property Profile of BAS 10853196
Property Insights of BAS 10853196
The XLogP value of 5.2072 indicates that BAS 10853196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, BAS 10853196 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 10853196 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 BAS 10853196?
The CAS number of BAS 10853196 is 726200-45-9.
What is the molecular formula of BAS 10853196?
The molecular formula of BAS 10853196 is C21H21NO2S.
What is the molecular weight of BAS 10853196?
The molecular weight of BAS 10853196 is 351.13 g/mol.
Where can I buy BAS 10853196?
You can request a quote for BAS 10853196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10853196?
Yes, KEHONG BIO provides custom synthesis services for BAS 10853196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.