MixCom6_000658
TL;DR: MixCom6_000658 (CAS 392236-42-9) is a chemical compound with molecular formula C24H22N2O3S2 and molecular weight 450.11 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]-3,4-dimethoxybenzamide
Also Known As: MixCom6_000658, ChemDiv1_028466, SDCCGSBI-0659268.P001, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,4-dimethoxybenzamide, F0289-0268
| Molecular Formula | C24H22N2O3S2 |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | 6.1731 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.10718 |
| Heavy Atoms | 31 |
| Complexity | 1242.3093 |
Chemical Identifiers
| CAS Number | 392236-42-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C4=NC5=CC=CC=C5S4)OC |
Product Overview
MixCom6_000658 (CAS 392236-42-9), with molecular formula C24H22N2O3S2 and molecular weight 450.11 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,4-dimethoxybenzamide.
Chemical Property Profile of MixCom6_000658
Property Insights of MixCom6_000658
The XLogP value of 6.1731 indicates that MixCom6_000658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_000658. Following Lipinski's Rule of Five, MixCom6_000658 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_000658?
The CAS number of MixCom6_000658 is 392236-42-9.
What is the molecular formula of MixCom6_000658?
The molecular formula of MixCom6_000658 is C24H22N2O3S2.
What is the molecular weight of MixCom6_000658?
The molecular weight of MixCom6_000658 is 450.11 g/mol.
Where can I buy MixCom6_000658?
You can request a quote for MixCom6_000658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000658?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.