KSC-336-013-1
TL;DR: KSC-336-013-1 (CAS 843671-91-0) is a chemical compound with molecular formula C18H19N3O2S3 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(14-methylsulfanyl-7-propan-2-yl-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-336-013-1, {[9-(methylsulfanyl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetic acid, 2-((4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)acetic acid
| Molecular Formula | C18H19N3O2S3 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 4.7502 |
| Topological Polar Surface Area | 75.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.06393 |
| Heavy Atoms | 26 |
| Complexity | 1029.8516 |
Chemical Identifiers
| CAS Number | 843671-91-0 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC(=N4)SC)SCC(=O)O |
Product Overview
KSC-336-013-1 (CAS 843671-91-0), with molecular formula C18H19N3O2S3 and molecular weight 405.06 g/mol. IUPAC: 2-[(14-methylsulfanyl-7-propan-2-yl-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-336-013-1
Property Insights of KSC-336-013-1
The XLogP value of 4.7502 indicates that KSC-336-013-1 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-336-013-1. Following Lipinski's Rule of Five, KSC-336-013-1 has 1 hydrogen bond donor(s) and 7 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-336-013-1?
The CAS number of KSC-336-013-1 is 843671-91-0.
What is the molecular formula of KSC-336-013-1?
The molecular formula of KSC-336-013-1 is C18H19N3O2S3.
What is the molecular weight of KSC-336-013-1?
The molecular weight of KSC-336-013-1 is 405.06 g/mol.
Where can I buy KSC-336-013-1?
You can request a quote for KSC-336-013-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-336-013-1?
Yes, KEHONG BIO provides custom synthesis services for KSC-336-013-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.