KSC-415-004-b
TL;DR: KSC-415-004-b (CAS 866340-31-0) is a chemical compound with molecular formula C21H28N4O3S and molecular weight 416.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)pentanamide
Also Known As: KSC-415-004-b, 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)pentanamide, 5-(8-methoxy-4-oxo-2-thioxo-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)pentanamide, 5-{8-METHOXY-4-OXO-2-SULFANYLIDENE-1H,2H,3H,4H,5H-PYRIMIDO[5,4-B]INDOL-3-YL}-N-(3-METHYLBUTYL)PENTANAMIDE, N-isopentyl-5-(8-methoxy-4-oxo-2-thioxo-1H-pyrimido[5,4-b]indol-3(2H,4H,5H)-yl)pentanamide
| Molecular Formula | C21H28N4O3S |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 3.88159 |
| Topological Polar Surface Area | 91.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.1882 |
| Heavy Atoms | 29 |
| Complexity | 1126.5894 |
Chemical Identifiers
| CAS Number | 866340-31-0 |
|---|---|
| SMILES | CC(C)CCNC(=O)CCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S |
Product Overview
KSC-415-004-b (CAS 866340-31-0), with molecular formula C21H28N4O3S and molecular weight 416.19 g/mol. IUPAC: 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)pentanamide.
Chemical Property Profile of KSC-415-004-b
Property Insights of KSC-415-004-b
The XLogP value of 3.88159 indicates that KSC-415-004-b is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.91 Ų falls within the moderate polarity range, balancing permeability and solubility for KSC-415-004-b. Following Lipinski's Rule of Five, KSC-415-004-b has 3 hydrogen bond donor(s) and 4 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-415-004-b?
The CAS number of KSC-415-004-b is 866340-31-0.
What is the molecular formula of KSC-415-004-b?
The molecular formula of KSC-415-004-b is C21H28N4O3S.
What is the molecular weight of KSC-415-004-b?
The molecular weight of KSC-415-004-b is 416.19 g/mol.
Where can I buy KSC-415-004-b?
You can request a quote for KSC-415-004-b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-415-004-b?
Yes, KEHONG BIO provides custom synthesis services for KSC-415-004-b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.