SDCCGSBI-0659321.P001
TL;DR: SDCCGSBI-0659321.P001 (CAS 536705-60-9) is a chemical compound with molecular formula C27H22N4O4S and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: SDCCGSBI-0659321.P001, G856-0949, F0580-0313, N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C27H22N4O4S |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 4.94334 |
| Topological Polar Surface Area | 98.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.13617 |
| Heavy Atoms | 36 |
| Complexity | 1702.8478 |
Chemical Identifiers
| CAS Number | 536705-60-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC6=C(C=C5)OCO6)C |
Product Overview
SDCCGSBI-0659321.P001 (CAS 536705-60-9), with molecular formula C27H22N4O4S and molecular weight 498.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of SDCCGSBI-0659321.P001
Property Insights of SDCCGSBI-0659321.P001
The XLogP value of 4.94334 indicates that SDCCGSBI-0659321.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.24 Ų falls within the moderate polarity range, balancing permeability and solubility for SDCCGSBI-0659321.P001. Following Lipinski's Rule of Five, SDCCGSBI-0659321.P001 has 2 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 SDCCGSBI-0659321.P001?
The CAS number of SDCCGSBI-0659321.P001 is 536705-60-9.
What is the molecular formula of SDCCGSBI-0659321.P001?
The molecular formula of SDCCGSBI-0659321.P001 is C27H22N4O4S.
What is the molecular weight of SDCCGSBI-0659321.P001?
The molecular weight of SDCCGSBI-0659321.P001 is 498.14 g/mol.
Where can I buy SDCCGSBI-0659321.P001?
You can request a quote for SDCCGSBI-0659321.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SDCCGSBI-0659321.P001?
Yes, KEHONG BIO provides custom synthesis services for SDCCGSBI-0659321.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.