脱氢松香腈
TL;DR: 脱氢松香腈 (CAS 35961-41-2) is a chemical compound with molecular formula C20H27N and molecular weight 281.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
脱氢松香腈
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile
Also Known As: Dehydroabietylnitrile, Dehydroabietonitrile, abieta-8,11,13-triene-18-nitrile, EINECS 250-488-6, Podocarpa-8,13-triene-15-nitrile, 13-isopropyl-
| Molecular Formula | C20H27N |
|---|---|
| Molecular Weight | 281.21 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.21436 |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 35961-41-2 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C#N)C |
| InChIKey | KSODEYYYINEFHT-SLFFLAALSA-N |
Product Overview
脱氢松香腈 (CAS 35961-41-2), with molecular formula C20H27N and molecular weight 281.21 g/mol. IUPAC: (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile.
Chemical Property Profile of 脱氢松香腈
Property Insights of 脱氢松香腈
The XLogP value of 5.8 indicates that 脱氢松香腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 脱氢松香腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 脱氢松香腈 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 脱氢松香腈?
The CAS number of 脱氢松香腈 is 35961-41-2.
What is the molecular formula of 脱氢松香腈?
The molecular formula of 脱氢松香腈 is C20H27N.
What is the molecular weight of 脱氢松香腈?
The molecular weight of 脱氢松香腈 is 281.21 g/mol.
Where can I buy 脱氢松香腈?
You can request a quote for 脱氢松香腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脱氢松香腈?
Yes, KEHONG BIO provides custom synthesis services for 脱氢松香腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.