C31H29NO
TL;DR: C31H29NO (CAS 58311-45-8) is a chemical compound with molecular formula C31H29NO and molecular weight 431.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,8S)-3,4-diphenyl-6-pyrrolidin-1-yltetracyclo[6.6.1.02,6.09,14]pentadeca-3,9,11,13-tetraen-5-one
Also Known As: 4,9-Methanobenz(f)azulen-1(3ah)-one, 4,9,10,10a-tetrahydro-2,3-diphenyl-10a-(1-pyrrolidinyl)-,(3a-alpha,4-beta,9-beta,10a-alpha)-, (3aS,4R,9S,10aR)-2,3-Diphenyl-10a-(pyrrolidin-1-yl)-4,9,10,10a-tetrahydro-4,9-methanobenzo[f]azulen-1(3aH)-one, 2,3-Diphenyl-10a-(pyrrolidin-1-yl)-4,9,10,10a-tetrahydro-4,9-methanobenzo[f]azulen-1(3aH)-one
| Molecular Formula | C31H29NO |
|---|---|
| Molecular Weight | 431.22 g/mol |
| LogP | 6.3057 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.2249 |
| Heavy Atoms | 33 |
| Complexity | 1254.3503 |
Chemical Identifiers
| CAS Number | 58311-45-8 |
|---|---|
| SMILES | C1CCN(C1)[C@]23C[C@@H]4C[C@H]([C@H]2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C47 |
Product Overview
C31H29NO (CAS 58311-45-8), with molecular formula C31H29NO and molecular weight 431.22 g/mol. IUPAC: (1R,2S,6R,8S)-3,4-diphenyl-6-pyrrolidin-1-yltetracyclo[6.6.1.02,6.09,14]pentadeca-3,9,11,13-tetraen-5-one.
Chemical Property Profile of C31H29NO
Property Insights of C31H29NO
The XLogP value of 6.3057 indicates that C31H29NO is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, C31H29NO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H29NO 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 C31H29NO?
The CAS number of C31H29NO is 58311-45-8.
What is the molecular formula of C31H29NO?
The molecular formula of C31H29NO is C31H29NO.
What is the molecular weight of C31H29NO?
The molecular weight of C31H29NO is 431.22 g/mol.
Where can I buy C31H29NO?
You can request a quote for C31H29NO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H29NO?
Yes, KEHONG BIO provides custom synthesis services for C31H29NO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.