RefChem:1099955
TL;DR: RefChem:1099955 (CAS 88013-35-8) is a chemical compound with molecular formula C27H31ClN2O9S and molecular weight 594.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);4-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]morpholine
Also Known As: Thieno(2,3-c)pyridine, 4,5,6,7-tetrahydro-4-(4-chlorophenyl)-6-methyl-2-(4-morpholinylmethyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 4-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]morpholine, RefChem:1099955
| Molecular Formula | C27H31ClN2O9S |
|---|---|
| Molecular Weight | 594.14 g/mol |
| LogP | 3.2346 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 594.14386 |
| Heavy Atoms | 40 |
| Complexity | 1155.0924 |
Chemical Identifiers
| CAS Number | 88013-35-8 |
|---|---|
| SMILES | CN1CC2=C(C(C1)C3=CC=C(C=C3)Cl)C=C(S2)CN4CCOCC4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1099955 (CAS 88013-35-8), with molecular formula C27H31ClN2O9S and molecular weight 594.14 g/mol. IUPAC: bis((E)-but-2-enedioic acid);4-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]morpholine.
Chemical Property Profile of RefChem:1099955
Property Insights of RefChem:1099955
The XLogP value of 3.2346 indicates that RefChem:1099955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.91 Ų indicates high polarity, suggesting RefChem:1099955 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1099955 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1099955?
The CAS number of RefChem:1099955 is 88013-35-8.
What is the molecular formula of RefChem:1099955?
The molecular formula of RefChem:1099955 is C27H31ClN2O9S.
What is the molecular weight of RefChem:1099955?
The molecular weight of RefChem:1099955 is 594.14 g/mol.
Where can I buy RefChem:1099955?
You can request a quote for RefChem:1099955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099955?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.