RefChem:356626
TL;DR: RefChem:356626 (CAS 13902-83-5) is a chemical compound with molecular formula C22H36O4 and molecular weight 364.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
Also Known As: Labd-8(20)-ene-15,18-dioic acid, dimethyl ester, (13R)-, methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate, Methyl decahydro-5-(methoxycarbonyl)-beta,5,8a-trimethyl-2-methylene-1-naphthalenepentanoate, 1-Naphthalenepentanoic acid, decahydro-5-(methoxycarbonyl)-.beta.,5,8a-trimethyl-2-methylene-, methyl ester, [1S-[1.alpha.(S*),4a.beta.,5.beta.,8a.alpha.]]-, Methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate #
| Molecular Formula | C22H36O4 |
|---|---|
| Molecular Weight | 364.26 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.26135 |
| Heavy Atoms | 26 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 13902-83-5 |
|---|---|
| SMILES | CC(CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC)C)CC(=O)OC |
| InChIKey | MMEXTNDBWOEMTB-UHFFFAOYSA-N |
Product Overview
RefChem:356626 (CAS 13902-83-5), with molecular formula C22H36O4 and molecular weight 364.26 g/mol. IUPAC: methyl 5-(5-methoxy-3-methyl-5-oxopentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate.
Chemical Property Profile of RefChem:356626
Property Insights of RefChem:356626
The XLogP value of 5.4 indicates that RefChem:356626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:356626 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:356626 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:356626?
The CAS number of RefChem:356626 is 13902-83-5.
What is the molecular formula of RefChem:356626?
The molecular formula of RefChem:356626 is C22H36O4.
What is the molecular weight of RefChem:356626?
The molecular weight of RefChem:356626 is 364.26 g/mol.
Where can I buy RefChem:356626?
You can request a quote for RefChem:356626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:356626?
Yes, KEHONG BIO provides custom synthesis services for RefChem:356626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.