AB00675031-01
TL;DR: AB00675031-01 (CAS 866727-87-9) is a chemical compound with molecular formula C27H23N3O2 and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-benzyl-14-(4-ethylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11,13,15-hexaene
Also Known As: AB00675031-01, F1604-0526, 5-benzyl-3-(4-ethylphenyl)-8,9-dihydro-5H-[1,4]dioxino[2,3-g]pyrazolo[4,3-c]quinoline, 17-benzyl-14-(4-ethylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3(8),9,11,13,15-hexaene, 17-benzyl-14-(4-ethylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11,13,15-hexaene
| Molecular Formula | C27H23N3O2 |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 5.585 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.17902 |
| Heavy Atoms | 32 |
| Complexity | 1374.0839 |
Chemical Identifiers
| CAS Number | 866727-87-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=NN=C3C2=CN(C4=CC5=C(C=C43)OCCO5)CC6=CC=CC=C6 |
Product Overview
AB00675031-01 (CAS 866727-87-9), with molecular formula C27H23N3O2 and molecular weight 421.18 g/mol. IUPAC: 17-benzyl-14-(4-ethylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11,13,15-hexaene.
Chemical Property Profile of AB00675031-01
Property Insights of AB00675031-01
The XLogP value of 5.585 indicates that AB00675031-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, AB00675031-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00675031-01 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00675031-01?
The CAS number of AB00675031-01 is 866727-87-9.
What is the molecular formula of AB00675031-01?
The molecular formula of AB00675031-01 is C27H23N3O2.
What is the molecular weight of AB00675031-01?
The molecular weight of AB00675031-01 is 421.18 g/mol.
Where can I buy AB00675031-01?
You can request a quote for AB00675031-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675031-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675031-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.