半日花烷
TL;DR: 半日花烷 (CAS 561-90-0) is a chemical compound with molecular formula C20H38 and molecular weight 278.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
半日花烷
(1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3R)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene
Also Known As: labdane, 2alpha,3alpha-Dihydroxy-labda-8(17),12(13),14(15)-triene, (1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3R)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene, (4aR,5S,6S,8aS)-1,1,4a,6-tetramethyl-5-[(3R)-3-methylpentyl]-decahydronaphthalene, (4aR,5S,6S,8aS)-1,1,4a,6-Tetramethyl-5-[(3R)-3-methylpentyl]decahydronaphthalene
| Molecular Formula | C20H38 |
|---|---|
| Molecular Weight | 278.30 g/mol |
| LogP | 6.6914 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.29736 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 561-90-0 |
|---|---|
| SMILES | CC[C@@H](C)CC[C@H]1[C@H](CC[C@@H]2[C@@]1(CCCC2(C)C)C)C |
Product Overview
半日花烷 (CAS 561-90-0), with molecular formula C20H38 and molecular weight 278.30 g/mol. IUPAC: (1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3R)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene.
Chemical Property Profile of 半日花烷
Property Insights of 半日花烷
The XLogP value of 6.6914 indicates that 半日花烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 半日花烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 半日花烷 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 半日花烷?
The CAS number of 半日花烷 is 561-90-0.
What is the molecular formula of 半日花烷?
The molecular formula of 半日花烷 is C20H38.
What is the molecular weight of 半日花烷?
The molecular weight of 半日花烷 is 278.30 g/mol.
Where can I buy 半日花烷?
You can request a quote for 半日花烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 半日花烷?
Yes, KEHONG BIO provides custom synthesis services for 半日花烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.