AB00103780-01
TL;DR: AB00103780-01 (CAS 348575-84-8) is a chemical compound with molecular formula C16H16IN5 and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: AB00103780-01, N-{(E)-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4H-1,2,4-triazol-4-amine, 1-[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine, (E)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine, (E)-N-((1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C16H16IN5 |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 3.48086 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.04504 |
| Heavy Atoms | 22 |
| Complexity | 830.59576 |
Chemical Identifiers
| CAS Number | 348575-84-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)/C=N/N3C=NN=C3 |
Product Overview
AB00103780-01 (CAS 348575-84-8), with molecular formula C16H16IN5 and molecular weight 405.05 g/mol. IUPAC: (E)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of AB00103780-01
Property Insights of AB00103780-01
The XLogP value of 3.48086 indicates that AB00103780-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, AB00103780-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00103780-01 has 0 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 AB00103780-01?
The CAS number of AB00103780-01 is 348575-84-8.
What is the molecular formula of AB00103780-01?
The molecular formula of AB00103780-01 is C16H16IN5.
What is the molecular weight of AB00103780-01?
The molecular weight of AB00103780-01 is 405.05 g/mol.
Where can I buy AB00103780-01?
You can request a quote for AB00103780-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00103780-01?
Yes, KEHONG BIO provides custom synthesis services for AB00103780-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.