C31H29ClN4O
TL;DR: C31H29ClN4O (CAS 372090-87-4) is a chemical compound with molecular formula C31H29ClN4O and molecular weight 508.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: (E)-3-benzyl-2-(2-(4-chlorobenzylidene)hydrazinyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-benzyl-2-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C31H29ClN4O |
|---|---|
| Molecular Weight | 508.20 g/mol |
| LogP | 6.816 |
| Topological Polar Surface Area | 59.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.203 |
| Heavy Atoms | 37 |
| Complexity | 1502.9769 |
Chemical Identifiers
| CAS Number | 372090-87-4 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)N/N=C/C5=CC=C(C=C5)Cl)CC6=CC=CC=C6 |
Product Overview
C31H29ClN4O (CAS 372090-87-4), with molecular formula C31H29ClN4O and molecular weight 508.20 g/mol. IUPAC: 3-benzyl-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of C31H29ClN4O
Property Insights of C31H29ClN4O
The XLogP value of 6.816 indicates that C31H29ClN4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.28 Ų, C31H29ClN4O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H29ClN4O has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C31H29ClN4O?
The CAS number of C31H29ClN4O is 372090-87-4.
What is the molecular formula of C31H29ClN4O?
The molecular formula of C31H29ClN4O is C31H29ClN4O.
What is the molecular weight of C31H29ClN4O?
The molecular weight of C31H29ClN4O is 508.20 g/mol.
Where can I buy C31H29ClN4O?
You can request a quote for C31H29ClN4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H29ClN4O?
Yes, KEHONG BIO provides custom synthesis services for C31H29ClN4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.