ChemDiv3_005886
TL;DR: ChemDiv3_005886 (CAS 620572-29-4) is a chemical compound with molecular formula C19H18ClNO3S3 and molecular weight 439.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(1,1-dioxothiolan-3-yl)-6-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
Also Known As: ChemDiv3_005886, IDI1_023796, BRD-A46216636-001-01-5, 3-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-6-methyl-N-[(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-6-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
| Molecular Formula | C19H18ClNO3S3 |
|---|---|
| Molecular Weight | 439.01 g/mol |
| LogP | 4.75412 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.01373 |
| Heavy Atoms | 27 |
| Complexity | 1102.88 |
Chemical Identifiers
| CAS Number | 620572-29-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)N(CC3=CC=CS3)C4CCS(=O)(=O)C4)Cl |
Product Overview
ChemDiv3_005886 (CAS 620572-29-4), with molecular formula C19H18ClNO3S3 and molecular weight 439.01 g/mol. IUPAC: 3-chloro-N-(1,1-dioxothiolan-3-yl)-6-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of ChemDiv3_005886
Property Insights of ChemDiv3_005886
The XLogP value of 4.75412 indicates that ChemDiv3_005886 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, ChemDiv3_005886 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005886 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_005886?
The CAS number of ChemDiv3_005886 is 620572-29-4.
What is the molecular formula of ChemDiv3_005886?
The molecular formula of ChemDiv3_005886 is C19H18ClNO3S3.
What is the molecular weight of ChemDiv3_005886?
The molecular weight of ChemDiv3_005886 is 439.01 g/mol.
Where can I buy ChemDiv3_005886?
You can request a quote for ChemDiv3_005886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005886?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.