C28-H31-N-O
TL;DR: C28-H31-N-O (CAS 58271-32-2) is a chemical compound with molecular formula C28H31NO and molecular weight 397.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,8S)-4,5-diphenyl-2-piperidin-1-yltricyclo[6.2.1.02,6]undec-4-en-3-one
Also Known As: 4,7-Methanoazulen-3(3ah)-one, 4,5,6,7,8,8a-hexahydro-1,2-diphenyl-3a-(1-piperidinyl)-, (3a-alpha,4-beta,7-beta,8a-alpha)-, 1,2-Diphenyl-3a-(piperidin-1-yl)-4,5,6,7,8,8a-hexahydro-4,7-methanoazulen-3(3aH)-one, (3aS,4R,7S,8aR)-1,2-Diphenyl-3a-(piperidin-1-yl)-4,5,6,7,8,8a-hexahydro-4,7-methanoazulen-3(3aH)-one
| Molecular Formula | C28H31NO |
|---|---|
| Molecular Weight | 397.24 g/mol |
| LogP | 5.841 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.24057 |
| Heavy Atoms | 30 |
| Complexity | 972.2134 |
Chemical Identifiers
| CAS Number | 58271-32-2 |
|---|---|
| SMILES | C1CCN(CC1)[C@@]23[C@@H]4CC[C@@H](C4)C[C@@H]2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
C28-H31-N-O (CAS 58271-32-2), with molecular formula C28H31NO and molecular weight 397.24 g/mol. IUPAC: (1R,2S,6R,8S)-4,5-diphenyl-2-piperidin-1-yltricyclo[6.2.1.02,6]undec-4-en-3-one.
Chemical Property Profile of C28-H31-N-O
Property Insights of C28-H31-N-O
The XLogP value of 5.841 indicates that C28-H31-N-O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, C28-H31-N-O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C28-H31-N-O has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28-H31-N-O?
The CAS number of C28-H31-N-O is 58271-32-2.
What is the molecular formula of C28-H31-N-O?
The molecular formula of C28-H31-N-O is C28H31NO.
What is the molecular weight of C28-H31-N-O?
The molecular weight of C28-H31-N-O is 397.24 g/mol.
Where can I buy C28-H31-N-O?
You can request a quote for C28-H31-N-O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28-H31-N-O?
Yes, KEHONG BIO provides custom synthesis services for C28-H31-N-O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.