![3-[2-羟基-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯氧基]-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯-1,2-二醇 structure](/static/products/1408/140872-95-3.webp)
3-[2-羟基-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯氧基]-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯-1,2-二醇
TL;DR: 3-[2-羟基-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯氧基]-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯-1,2-二醇 (CAS 140872-95-3) is a chemical compound with molecular formula C42H58O4 and molecular weight 626.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-羟基-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯氧基]-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯-1,2-二醇
3-[2-hydroxy-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)phenoxy]-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol
Also Known As: 1,2-Benzenediol, 5-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-3-[5-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-2-hydroxyphenoxy]-, 3-[2-hydroxy-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)phenoxy]-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol
| Molecular Formula | C42H58O4 |
|---|---|
| Molecular Weight | 626.43 g/mol |
| LogP | 13.9 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 626.43353 |
| Heavy Atoms | 46 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 140872-95-3 |
|---|---|
| SMILES | CC(=CCCC(=CCCC(C)(C=C)C1=CC(=C(C=C1)O)OC2=CC(=CC(=C2O)O)C(C)(CCC=C(C)CCC=C(C)C)C=C)C)C |
| InChIKey | SRYUFQNDYPIUQF-UHFFFAOYSA-N |
Product Overview
3-[2-羟基-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯氧基]-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯-1,2-二醇 (CAS 140872-95-3), with molecular formula C42H58O4 and molecular weight 626.43 g/mol. IUPAC: 3-[2-hydroxy-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)phenoxy]-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol.
Chemical Property Profile of 3-[2-羟基-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯氧基]-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯-1,2-二醇
Property Insights of 3-[2-羟基-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯氧基]-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯-1,2-二醇
The XLogP value of 13.9 indicates that CTK5J3185 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-羟基-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯氧基]-5-(3,7,11-三甲基十二碳-1,6,10-三烯-3-基)苯-1,2-二醇. Following Lipinski's Rule of Five, CTK5J3185 has 3 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 CTK5J3185?
The CAS number of CTK5J3185 is 140872-95-3.
What is the molecular formula of CTK5J3185?
The molecular formula of CTK5J3185 is C42H58O4.
What is the molecular weight of CTK5J3185?
The molecular weight of CTK5J3185 is 626.43 g/mol.
Where can I buy CTK5J3185?
You can request a quote for CTK5J3185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5J3185?
Yes, KEHONG BIO provides custom synthesis services for CTK5J3185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.