AB00672949-01
TL;DR: AB00672949-01 (CAS 688053-87-4) is a chemical compound with molecular formula C23H29N3O4S and molecular weight 443.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
Also Known As: AB00672949-01, F0919-6689, N-(2-(cyclohex-1-en-1-yl)ethyl)-6-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)hexanamide, N-[2-(cyclohex-1-en-1-yl)ethyl]-6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide, N-[2-(cyclohexen-1-yl)ethyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
| Molecular Formula | C23H29N3O4S |
|---|---|
| Molecular Weight | 443.19 g/mol |
| LogP | 4.35489 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.18787 |
| Heavy Atoms | 31 |
| Complexity | 1102.4192 |
Chemical Identifiers
| CAS Number | 688053-87-4 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)CCCCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 |
Product Overview
AB00672949-01 (CAS 688053-87-4), with molecular formula C23H29N3O4S and molecular weight 443.19 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide.
Chemical Property Profile of AB00672949-01
Property Insights of AB00672949-01
The XLogP value of 4.35489 indicates that AB00672949-01 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 AB00672949-01. Following Lipinski's Rule of Five, AB00672949-01 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 AB00672949-01?
The CAS number of AB00672949-01 is 688053-87-4.
What is the molecular formula of AB00672949-01?
The molecular formula of AB00672949-01 is C23H29N3O4S.
What is the molecular weight of AB00672949-01?
The molecular weight of AB00672949-01 is 443.19 g/mol.
Where can I buy AB00672949-01?
You can request a quote for AB00672949-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672949-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672949-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.