RefChem:815712
TL;DR: RefChem:815712 (CAS 618432-07-8) is a chemical compound with molecular formula C26H22ClN3O4S2 and molecular weight 539.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: SALOR-INT L416428-1EA, METHYL 4-[({[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETYL)AMINO]BENZOATE, 638-310-9, METHYL 4-((((3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)ACETYL)AMINO)BENZOATE, Methyl 4-(2-((3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C26H22ClN3O4S2 |
|---|---|
| Molecular Weight | 539.07 g/mol |
| LogP | 5.4968 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.07404 |
| Heavy Atoms | 36 |
| Complexity | 1511.7219 |
Chemical Identifiers
| CAS Number | 618432-07-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl |
Product Overview
RefChem:815712 (CAS 618432-07-8), with molecular formula C26H22ClN3O4S2 and molecular weight 539.07 g/mol. IUPAC: methyl 4-[[2-[[3-(4-chlorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of RefChem:815712
Property Insights of RefChem:815712
The XLogP value of 5.4968 indicates that RefChem:815712 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:815712. Following Lipinski's Rule of Five, RefChem:815712 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:815712?
The CAS number of RefChem:815712 is 618432-07-8.
What is the molecular formula of RefChem:815712?
The molecular formula of RefChem:815712 is C26H22ClN3O4S2.
What is the molecular weight of RefChem:815712?
The molecular weight of RefChem:815712 is 539.07 g/mol.
Where can I buy RefChem:815712?
You can request a quote for RefChem:815712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:815712?
Yes, KEHONG BIO provides custom synthesis services for RefChem:815712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.