ChemDiv1_000935
TL;DR: ChemDiv1_000935 (CAS 313965-96-7) is a chemical compound with molecular formula C20H17Cl2NO3S2 and molecular weight 453.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_000935, BAS 01280022, ethyl 2-{[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(3,6-DICHLORO-1-BENZOTHIOPHENE-2-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H17Cl2NO3S2 |
|---|---|
| Molecular Weight | 453.00 g/mol |
| LogP | 6.5774 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.0027 |
| Heavy Atoms | 28 |
| Complexity | 1086.991 |
Chemical Identifiers
| CAS Number | 313965-96-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl |
Product Overview
ChemDiv1_000935 (CAS 313965-96-7), with molecular formula C20H17Cl2NO3S2 and molecular weight 453.00 g/mol. IUPAC: ethyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_000935
Property Insights of ChemDiv1_000935
The XLogP value of 6.5774 indicates that ChemDiv1_000935 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ChemDiv1_000935 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_000935 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000935?
The CAS number of ChemDiv1_000935 is 313965-96-7.
What is the molecular formula of ChemDiv1_000935?
The molecular formula of ChemDiv1_000935 is C20H17Cl2NO3S2.
What is the molecular weight of ChemDiv1_000935?
The molecular weight of ChemDiv1_000935 is 453.00 g/mol.
Where can I buy ChemDiv1_000935?
You can request a quote for ChemDiv1_000935 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000935?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000935 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.