C18H13IN4O
TL;DR: C18H13IN4O (CAS 372155-46-9) is a chemical compound with molecular formula C18H13IN4O and molecular weight 428.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(3-iodophenyl)methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-3-((3-iodobenzylidene)amino)-8-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-{[(E)-(3-iodophenyl)methylidene]amino}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H13IN4O |
|---|---|
| Molecular Weight | 428.01 g/mol |
| LogP | 3.67302 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.0134 |
| Heavy Atoms | 24 |
| Complexity | 1156.8209 |
Chemical Identifiers
| CAS Number | 372155-46-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)/N=C/C4=CC(=CC=C4)I |
Product Overview
C18H13IN4O (CAS 372155-46-9), with molecular formula C18H13IN4O and molecular weight 428.01 g/mol. IUPAC: 3-[(E)-(3-iodophenyl)methylideneamino]-8-methyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of C18H13IN4O
Property Insights of C18H13IN4O
The XLogP value of 3.67302 indicates that C18H13IN4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H13IN4O. Following Lipinski's Rule of Five, C18H13IN4O has 1 hydrogen bond donor(s) and 3 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 C18H13IN4O?
The CAS number of C18H13IN4O is 372155-46-9.
What is the molecular formula of C18H13IN4O?
The molecular formula of C18H13IN4O is C18H13IN4O.
What is the molecular weight of C18H13IN4O?
The molecular weight of C18H13IN4O is 428.01 g/mol.
Where can I buy C18H13IN4O?
You can request a quote for C18H13IN4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H13IN4O?
Yes, KEHONG BIO provides custom synthesis services for C18H13IN4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.