ChemDiv3_012672
TL;DR: ChemDiv3_012672 (CAS 688055-83-6) is a chemical compound with molecular formula C25H25N3O4S and molecular weight 463.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: ChemDiv3_012672, VU0512629-1, BRD-K18153463-001-01-0, F3168-2079, N-(2-(cyclohex-1-en-1-yl)ethyl)-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide
| Molecular Formula | C25H25N3O4S |
|---|---|
| Molecular Weight | 463.16 g/mol |
| LogP | 4.45639 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.1566 |
| Heavy Atoms | 33 |
| Complexity | 1355.0552 |
Chemical Identifiers
| CAS Number | 688055-83-6 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
ChemDiv3_012672 (CAS 688055-83-6), with molecular formula C25H25N3O4S and molecular weight 463.16 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of ChemDiv3_012672
Property Insights of ChemDiv3_012672
The XLogP value of 4.45639 indicates that ChemDiv3_012672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012672. Following Lipinski's Rule of Five, ChemDiv3_012672 has 2 hydrogen bond donor(s) and 5 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 ChemDiv3_012672?
The CAS number of ChemDiv3_012672 is 688055-83-6.
What is the molecular formula of ChemDiv3_012672?
The molecular formula of ChemDiv3_012672 is C25H25N3O4S.
What is the molecular weight of ChemDiv3_012672?
The molecular weight of ChemDiv3_012672 is 463.16 g/mol.
Where can I buy ChemDiv3_012672?
You can request a quote for ChemDiv3_012672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012672?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.