KSC-285-130-1
TL;DR: KSC-285-130-1 (CAS 848734-95-2) is a chemical compound with molecular formula C21H17N3O2S3 and molecular weight 439.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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]acetic acid
Also Known As: KSC-285-130-1, (9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-ylsulfanyl)-acetic acid, (9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-ylsulfanyl)-acetic acid, {[9-(methylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetic acid, 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)acetic acid
| Molecular Formula | C21H17N3O2S3 |
|---|---|
| Molecular Weight | 439.05 g/mol |
| LogP | 5.2938 |
| Topological Polar Surface Area | 75.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.04828 |
| Heavy Atoms | 29 |
| Complexity | 1254.9847 |
Chemical Identifiers
| CAS Number | 848734-95-2 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)SCC(=O)O)SC3=C2C4=C(CCC4)C(=N3)C5=CC=CC=C5 |
Product Overview
KSC-285-130-1 (CAS 848734-95-2), with molecular formula C21H17N3O2S3 and molecular weight 439.05 g/mol. IUPAC: 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]acetic acid.
Chemical Property Profile of KSC-285-130-1
Property Insights of KSC-285-130-1
The XLogP value of 5.2938 indicates that KSC-285-130-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.97 Ų falls within the moderate polarity range, balancing permeability and solubility for KSC-285-130-1. Following Lipinski's Rule of Five, KSC-285-130-1 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 KSC-285-130-1?
The CAS number of KSC-285-130-1 is 848734-95-2.
What is the molecular formula of KSC-285-130-1?
The molecular formula of KSC-285-130-1 is C21H17N3O2S3.
What is the molecular weight of KSC-285-130-1?
The molecular weight of KSC-285-130-1 is 439.05 g/mol.
Where can I buy KSC-285-130-1?
You can request a quote for KSC-285-130-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-285-130-1?
Yes, KEHONG BIO provides custom synthesis services for KSC-285-130-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.