AB00674989-01
TL;DR: AB00674989-01 (CAS 866589-87-9) is a chemical compound with molecular formula C25H18ClN3O3 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-8-[(3-methoxyphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaene
Also Known As: AB00674989-01, F1604-0193, 3-(4-chlorophenyl)-5-(3-methoxybenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline, 5-(4-chlorophenyl)-8-[(3-methoxyphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene, 3-{[3-(4-CHLOROPHENYL)-5H-[1,3]DIOXOLO[4,5-G]PYRAZOLO[4,3-C]QUINOLIN-5-YL]METHYL}PHENYL METHYL ETHER
| Molecular Formula | C25H18ClN3O3 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 5.6421 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.10367 |
| Heavy Atoms | 32 |
| Complexity | 1428.9531 |
Chemical Identifiers
| CAS Number | 866589-87-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CN2C=C3C(=NN=C3C4=CC5=C(C=C42)OCO5)C6=CC=C(C=C6)Cl |
Product Overview
AB00674989-01 (CAS 866589-87-9), with molecular formula C25H18ClN3O3 and molecular weight 443.10 g/mol. IUPAC: 5-(4-chlorophenyl)-8-[(3-methoxyphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaene.
Chemical Property Profile of AB00674989-01
Property Insights of AB00674989-01
The XLogP value of 5.6421 indicates that AB00674989-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, AB00674989-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00674989-01 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00674989-01?
The CAS number of AB00674989-01 is 866589-87-9.
What is the molecular formula of AB00674989-01?
The molecular formula of AB00674989-01 is C25H18ClN3O3.
What is the molecular weight of AB00674989-01?
The molecular weight of AB00674989-01 is 443.10 g/mol.
Where can I buy AB00674989-01?
You can request a quote for AB00674989-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674989-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674989-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.