AB01297792-01
TL;DR: AB01297792-01 (CAS 847855-68-9) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-13-yl)sulfanylacetate
Also Known As: AB01297792-01, ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)thio]acetate, ethyl 2-((7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)thio)acetate, ethyl [(7-hydroxy-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)sulfanyl]acetate
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.1077 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 1160.4329 |
Chemical Identifiers
| CAS Number | 847855-68-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC2=NC3=C(C(=O)N21)C4(CCCC4)CC5=CC=CC=C53 |
Product Overview
AB01297792-01 (CAS 847855-68-9), with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol. IUPAC: ethyl 2-(11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaene-9,1'-cyclopentane]-13-yl)sulfanylacetate.
Chemical Property Profile of AB01297792-01
Property Insights of AB01297792-01
The XLogP value of 3.1077 indicates that AB01297792-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01297792-01. Following Lipinski's Rule of Five, AB01297792-01 has 1 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 AB01297792-01?
The CAS number of AB01297792-01 is 847855-68-9.
What is the molecular formula of AB01297792-01?
The molecular formula of AB01297792-01 is C21H22N4O3S.
What is the molecular weight of AB01297792-01?
The molecular weight of AB01297792-01 is 410.14 g/mol.
Where can I buy AB01297792-01?
You can request a quote for AB01297792-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01297792-01?
Yes, KEHONG BIO provides custom synthesis services for AB01297792-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.