C31H25N3.ClH
TL;DR: C31H25N3.ClH (CAS 68039-52-1) is a chemical compound with molecular formula C31H26ClN3 and molecular weight 475.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-aminophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-phenylazanium chloride
Also Known As: Pararosaniline, N,N'-diphenyl-, monohydrochloride, 4-{(e)-(4-aminophenyl)[(4e)-4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}-n-phenylanilinium chloride, Benzenamine, 4,4'-((4-imino-2,5-cyclohexadien-1-ylidene)methylene)bis(N-phenyl-, hydrochloride (1:1), Benzenamine, 4,4'-((4-imino-2,5-cyclohexadien-1-ylidene)methylene)bis(N-phenyl-, monohydrochloride, 4,4'-((4-Iminocyclohexa-2,5-dien-1-ylidene)methylene)bis(N-phenylaniline) monohydrochloride
| Molecular Formula | C31H26ClN3 |
|---|---|
| Molecular Weight | 475.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.18152 |
| Heavy Atoms | 35 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 68039-52-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)[NH2+]C2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC=C4)C=C3)C5=CC=C(C=C5)N.[Cl-] |
| InChIKey | NZGNJEQJCIAWRD-UHFFFAOYSA-N |
Product Overview
C31H25N3.ClH (CAS 68039-52-1), with molecular formula C31H26ClN3 and molecular weight 475.18 g/mol. IUPAC: [4-[(4-aminophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-phenylazanium chloride.
Chemical Property Profile of C31H25N3.ClH
Property Insights of C31H25N3.ClH
The XLogP value of 3.5 indicates that C31H25N3.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, C31H25N3.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H25N3.ClH has 2 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 C31H25N3.ClH?
The CAS number of C31H25N3.ClH is 68039-52-1.
What is the molecular formula of C31H25N3.ClH?
The molecular formula of C31H25N3.ClH is C31H26ClN3.
What is the molecular weight of C31H25N3.ClH?
The molecular weight of C31H25N3.ClH is 475.18 g/mol.
Where can I buy C31H25N3.ClH?
You can request a quote for C31H25N3.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H25N3.ClH?
Yes, KEHONG BIO provides custom synthesis services for C31H25N3.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.