KSC-336-025-1
TL;DR: KSC-336-025-1 (CAS 844860-63-5) is a chemical compound with molecular formula C20H15N3O2S2 and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(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-336-025-1, (4-Phenyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-ylsulfanyl)-acetic acid, [(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-((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 | C20H15N3O2S2 |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 4.5719 |
| Topological Polar Surface Area | 75.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.06058 |
| Heavy Atoms | 27 |
| Complexity | 1188.4999 |
Chemical Identifiers
| CAS Number | 844860-63-5 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC(=O)O)C5=CC=CC=C5 |
Product Overview
KSC-336-025-1 (CAS 844860-63-5), with molecular formula C20H15N3O2S2 and molecular weight 393.06 g/mol. IUPAC: 2-[(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-336-025-1
Property Insights of KSC-336-025-1
The XLogP value of 4.5719 indicates that KSC-336-025-1 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-336-025-1. Following Lipinski's Rule of Five, KSC-336-025-1 has 1 hydrogen bond donor(s) and 6 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 KSC-336-025-1?
The CAS number of KSC-336-025-1 is 844860-63-5.
What is the molecular formula of KSC-336-025-1?
The molecular formula of KSC-336-025-1 is C20H15N3O2S2.
What is the molecular weight of KSC-336-025-1?
The molecular weight of KSC-336-025-1 is 393.06 g/mol.
Where can I buy KSC-336-025-1?
You can request a quote for KSC-336-025-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-336-025-1?
Yes, KEHONG BIO provides custom synthesis services for KSC-336-025-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.