ER59CF8Epl
TL;DR: ER59CF8Epl (CAS 228113-64-2) is a chemical compound with molecular formula C27H39NO4S and molecular weight 473.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4-methoxyphenyl)-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol
Also Known As: (4R,5R)-3,3-Dibutyl-7-(dimethylamino)-1,1-dioxido-4-hydroxy-5-(4-methoxyphenyl)-2,3,4,5-tetrahydrobenzothiepine, (4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(4-methoxy-phenyl)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-4-ol, 1-Benzothiepin-4-ol, 3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-5-(4-methoxyphenyl)-, 1,1-dioxide, (4R,5R)-, 1-Benzothiepin-4-ol, 3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-5-(4-methoxyphenyl)-, 1,1-dioxide, (4R,5R)-rel-, 1-Benzothiepin-4-ol, 3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-5-(4-methoxyphenyl)-, 1,1-dioxide, cis-
| Molecular Formula | C27H39NO4S |
|---|---|
| Molecular Weight | 473.26 g/mol |
| LogP | 5.4081 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.25998 |
| Heavy Atoms | 33 |
| Complexity | 1022.5869 |
Chemical Identifiers
| CAS Number | 228113-64-2 |
|---|---|
| SMILES | CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)OC)CCCC |
Product Overview
ER59CF8Epl (CAS 228113-64-2), with molecular formula C27H39NO4S and molecular weight 473.26 g/mol. IUPAC: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4-methoxyphenyl)-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol.
Chemical Property Profile of ER59CF8Epl
Property Insights of ER59CF8Epl
The XLogP value of 5.4081 indicates that ER59CF8Epl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ER59CF8Epl. Following Lipinski's Rule of Five, ER59CF8Epl has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ER59CF8Epl?
The CAS number of ER59CF8Epl is 228113-64-2.
What is the molecular formula of ER59CF8Epl?
The molecular formula of ER59CF8Epl is C27H39NO4S.
What is the molecular weight of ER59CF8Epl?
The molecular weight of ER59CF8Epl is 473.26 g/mol.
Where can I buy ER59CF8Epl?
You can request a quote for ER59CF8Epl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ER59CF8Epl?
Yes, KEHONG BIO provides custom synthesis services for ER59CF8Epl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.