Neoabietadiene
TL;DR: Neoabietadiene (CAS 57119-12-7) is a chemical compound with molecular formula C20H32 and molecular weight 272.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,4bS,10aS)-1,1,4a-trimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
Also Known As: Neoabietadiene, Abieta-8(14),13(15)-diene, (4aS,4bS,10aS)-1,1,4a-trimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene, (4aS,4bS,10aS)-1,1,4a-Trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene, (4aS)-1,2,3,4,4a,4balpha,5,6,7,9,10,10aalpha-Dodecahydro-1,1,4abeta-trimethyl-7-isopropylidenephenanthrene
| Molecular Formula | C20H32 |
|---|---|
| Molecular Weight | 272.25 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.2504 |
| Heavy Atoms | 20 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 57119-12-7 |
|---|---|
| SMILES | CC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)C |
| InChIKey | MRRHSEMHYVQUFK-CMKODMSKSA-N |
Product Overview
Neoabietadiene (CAS 57119-12-7), with molecular formula C20H32 and molecular weight 272.25 g/mol. IUPAC: (4aS,4bS,10aS)-1,1,4a-trimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene.
Chemical Property Profile of Neoabietadiene
Property Insights of Neoabietadiene
The XLogP value of 6.6 indicates that Neoabietadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Neoabietadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neoabietadiene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neoabietadiene?
The CAS number of Neoabietadiene is 57119-12-7.
What is the molecular formula of Neoabietadiene?
The molecular formula of Neoabietadiene is C20H32.
What is the molecular weight of Neoabietadiene?
The molecular weight of Neoabietadiene is 272.25 g/mol.
Where can I buy Neoabietadiene?
You can request a quote for Neoabietadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoabietadiene?
Yes, KEHONG BIO provides custom synthesis services for Neoabietadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.