PubChem SID: 26726119
TL;DR: PubChem SID: 26726119 (CAS 896597-93-6) is a chemical compound with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-amine
Also Known As: PubChem SID: 26726119, (E)-8-methyl-4-(2-(2,3,4-trimethoxybenzylidene)hydrazinyl)-5H-pyrimido[5,4-b]indole, 8-methyl-4-[(2E)-2-(2,3,4-trimethoxybenzylidene)hydrazinyl]-5H-pyrimido[5,4-b]indole, 8-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methyleneamino]-3H-pyrimido[5,4-b]indol-4-amine, N-(8-Methyl-5H-pyrimido[5,4-b]indol-4-yl)-N'-[1-(2,3,4-trimethoxy-phenyl)-meth-(E)-ylidene]-hydrazine
| Molecular Formula | C21H21N5O3 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 3.89132 |
| Topological Polar Surface Area | 93.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.16443 |
| Heavy Atoms | 29 |
| Complexity | 1216.1135 |
Chemical Identifiers
| CAS Number | 896597-93-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=CN=C3N/N=C/C4=C(C(=C(C=C4)OC)OC)OC |
Product Overview
PubChem SID: 26726119 (CAS 896597-93-6), with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol. IUPAC: 8-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-amine.
Chemical Property Profile of PubChem SID: 26726119
Property Insights of PubChem SID: 26726119
The XLogP value of 3.89132 indicates that PubChem SID: 26726119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.65 Ų falls within the moderate polarity range, balancing permeability and solubility for PubChem SID: 26726119. Following Lipinski's Rule of Five, PubChem SID: 26726119 has 2 hydrogen bond donor(s) and 7 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 PubChem SID: 26726119?
The CAS number of PubChem SID: 26726119 is 896597-93-6.
What is the molecular formula of PubChem SID: 26726119?
The molecular formula of PubChem SID: 26726119 is C21H21N5O3.
What is the molecular weight of PubChem SID: 26726119?
The molecular weight of PubChem SID: 26726119 is 391.16 g/mol.
Where can I buy PubChem SID: 26726119?
You can request a quote for PubChem SID: 26726119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PubChem SID: 26726119?
Yes, KEHONG BIO provides custom synthesis services for PubChem SID: 26726119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.