RefChem:1074179
TL;DR: RefChem:1074179 (CAS 54957-39-0) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6,9-trimethyl-1-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-3-ol
Also Known As: 5-17-04-00420 (Beilstein Handbook Reference), 6,6,9-trimethyl-1-pentyl-6a,7,8,10a-tetrahydro-6h-benzo[c]chromen-3-ol, 6H-Dibenzo(b,d)pyran-3-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-1-pentyl-, cis-(-)-, 6H-Dibenzo(b,d)pyran-3-ol, 6a-beta,7,8,10-a-beta-tetrahydro-1-pentyl-6,6,9-trimethyl-, (+-)-Z-, 6H-Dibenzo(b,d)pyran-3-ol, 6a-beta,7,8-10a-beta-tetrahydro-1-pentyl-6,6,9-trimethyl-, (-)-E-
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 54957-39-0 |
|---|---|
| SMILES | CCCCCC1=C2C3C=C(CCC3C(OC2=CC(=C1)O)(C)C)C |
| InChIKey | SBDHCUZETSWOAX-UHFFFAOYSA-N |
Product Overview
RefChem:1074179 (CAS 54957-39-0), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: 6,6,9-trimethyl-1-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-3-ol.
Chemical Property Profile of RefChem:1074179
Property Insights of RefChem:1074179
The XLogP value of 7.0 indicates that RefChem:1074179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:1074179 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074179 has 1 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 RefChem:1074179?
The CAS number of RefChem:1074179 is 54957-39-0.
What is the molecular formula of RefChem:1074179?
The molecular formula of RefChem:1074179 is C21H30O2.
What is the molecular weight of RefChem:1074179?
The molecular weight of RefChem:1074179 is 314.22 g/mol.
Where can I buy RefChem:1074179?
You can request a quote for RefChem:1074179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074179?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.