KSC-336-026-1
TL;DR: KSC-336-026-1 (CAS 847246-36-0) is a chemical compound with molecular formula C22H19N3O2S3 and molecular weight 453.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetate
Also Known As: KSC-336-026-1, methyl {[9-(methylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetate, methyl 2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)acetate
| Molecular Formula | C22H19N3O2S3 |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 5.3822 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.06393 |
| Heavy Atoms | 30 |
| Complexity | 1271.589 |
Chemical Identifiers
| CAS Number | 847246-36-0 |
|---|---|
| SMILES | COC(=O)CSC1=NC(=NC2=C1SC3=C2C4=C(CCC4)C(=N3)C5=CC=CC=C5)SC |
Product Overview
KSC-336-026-1 (CAS 847246-36-0), with molecular formula C22H19N3O2S3 and molecular weight 453.06 g/mol. IUPAC: methyl 2-[(14-methylsulfanyl-7-phenyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetate.
Chemical Property Profile of KSC-336-026-1
Property Insights of KSC-336-026-1
The XLogP value of 5.3822 indicates that KSC-336-026-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.97 Ų falls within the moderate polarity range, balancing permeability and solubility for KSC-336-026-1. Following Lipinski's Rule of Five, KSC-336-026-1 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KSC-336-026-1?
The CAS number of KSC-336-026-1 is 847246-36-0.
What is the molecular formula of KSC-336-026-1?
The molecular formula of KSC-336-026-1 is C22H19N3O2S3.
What is the molecular weight of KSC-336-026-1?
The molecular weight of KSC-336-026-1 is 453.06 g/mol.
Where can I buy KSC-336-026-1?
You can request a quote for KSC-336-026-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-336-026-1?
Yes, KEHONG BIO provides custom synthesis services for KSC-336-026-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.