Daphnane
TL;DR: Daphnane (CAS 39686-16-3) is a chemical compound with molecular formula C22H37N and molecular weight 315.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,10R,13S,14R)-1-methyl-14-propan-2-yl-2-propyl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecane
Also Known As: Daphnane, (7xi)-3beta,15alpha-Daphnane, (3aR-(3aalpha,4alpha,4abeta,5beta,8alpha,8abeta,8balpha,10S*))-Decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-4,8,3a-(1,2,4)butanetriylcyclopent(b)indole, (3S,10R,13S,14R)-1-Methyl-14-propan-2-yl-2-propyl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecane, 4,8,3a-(1,2,4)Butanetriylcyclopent(b)indole, decahydro-8-methyl-5-(1-methylethyl)-8a-propyl-, (3aR,4aS,5R,8S,8aR,8bS,10S)-
| Molecular Formula | C22H37N |
|---|---|
| Molecular Weight | 315.29 g/mol |
| LogP | 5.4919 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.2926 |
| Heavy Atoms | 23 |
| Complexity | 512.1021 |
Chemical Identifiers
| CAS Number | 39686-16-3 |
|---|---|
| SMILES | CCCC12[C@@H]3CCCC34CC[C@@H]5C1(CC[C@@H]([C@@H]2N4C5)C(C)C)C |
Product Overview
Daphnane (CAS 39686-16-3), with molecular formula C22H37N and molecular weight 315.29 g/mol. IUPAC: (3S,10R,13S,14R)-1-methyl-14-propan-2-yl-2-propyl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecane.
Chemical Property Profile of Daphnane
Property Insights of Daphnane
The XLogP value of 5.4919 indicates that Daphnane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Daphnane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Daphnane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daphnane?
The CAS number of Daphnane is 39686-16-3.
What is the molecular formula of Daphnane?
The molecular formula of Daphnane is C22H37N.
What is the molecular weight of Daphnane?
The molecular weight of Daphnane is 315.29 g/mol.
Where can I buy Daphnane?
You can request a quote for Daphnane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daphnane?
Yes, KEHONG BIO provides custom synthesis services for Daphnane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.