AB01305674-01
TL;DR: AB01305674-01 (CAS 844860-90-8) is a chemical compound with molecular formula C28H24N4O5 and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethoxyphenyl)-13-[(4-methylphenoxy)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
Also Known As: AB01305674-01, 12-(3,4-dimethoxyphenyl)-2-[(4-methylphenoxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate, 12-(3,4-dimethoxyphenyl)-2-[(4-methylphenoxy)methyl]-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol, 12-(3,4-dimethoxyphenyl)-2-((p-tolyloxy)methyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
| Molecular Formula | C28H24N4O5 |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 5.02042 |
| Topological Polar Surface Area | 100.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.17468 |
| Heavy Atoms | 37 |
| Complexity | 1613.7825 |
Chemical Identifiers
| CAS Number | 844860-90-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)C=C(C=C5)O)C6=CC(=C(C=C6)OC)OC |
Product Overview
AB01305674-01 (CAS 844860-90-8), with molecular formula C28H24N4O5 and molecular weight 496.17 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-13-[(4-methylphenoxy)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol.
Chemical Property Profile of AB01305674-01
Property Insights of AB01305674-01
The XLogP value of 5.02042 indicates that AB01305674-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305674-01. Following Lipinski's Rule of Five, AB01305674-01 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01305674-01?
The CAS number of AB01305674-01 is 844860-90-8.
What is the molecular formula of AB01305674-01?
The molecular formula of AB01305674-01 is C28H24N4O5.
What is the molecular weight of AB01305674-01?
The molecular weight of AB01305674-01 is 496.17 g/mol.
Where can I buy AB01305674-01?
You can request a quote for AB01305674-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305674-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305674-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.