C31H39N5O
TL;DR: C31H39N5O (CAS 671766-36-2) is a chemical compound with molecular formula C31H39N5O and molecular weight 497.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
Also Known As: (E)-2-(8-cyclohexyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-3(2H)-yl)-N'-(4-(dimethylamino)benzylidene)acetohydrazide, 2-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
| Molecular Formula | C31H39N5O |
|---|---|
| Molecular Weight | 497.32 g/mol |
| LogP | 5.5983 |
| Topological Polar Surface Area | 52.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.31546 |
| Heavy Atoms | 37 |
| Complexity | 1299.3748 |
Chemical Identifiers
| CAS Number | 671766-36-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/NC(=O)CN2CCN3C4=C(C=C(C=C4)C5CCCCC5)C6=C3C2CCC6 |
Product Overview
C31H39N5O (CAS 671766-36-2), with molecular formula C31H39N5O and molecular weight 497.32 g/mol. IUPAC: 2-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide.
Chemical Property Profile of C31H39N5O
Property Insights of C31H39N5O
The XLogP value of 5.5983 indicates that C31H39N5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.87 Ų, C31H39N5O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H39N5O 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 C31H39N5O?
The CAS number of C31H39N5O is 671766-36-2.
What is the molecular formula of C31H39N5O?
The molecular formula of C31H39N5O is C31H39N5O.
What is the molecular weight of C31H39N5O?
The molecular weight of C31H39N5O is 497.32 g/mol.
Where can I buy C31H39N5O?
You can request a quote for C31H39N5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H39N5O?
Yes, KEHONG BIO provides custom synthesis services for C31H39N5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.