RefChem:1099954
TL;DR: RefChem:1099954 (CAS 88013-29-0) is a chemical compound with molecular formula C27H31BrN2O9S and molecular weight 638.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]morpholine;bis((E)-but-2-enedioic acid)
Also Known As: Thieno(2,3-c)pyridine, 4,5,6,7-tetrahydro-4-(4-bromophenyl)-6-methyl-2-(4-morpholinylmethyl)-,(Z)-2-butenedioate (1:2), 4-[[4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]morpholine; (E)-but-2-enedioic acid, RefChem:1099954
| Molecular Formula | C27H31BrN2O9S |
|---|---|
| Molecular Weight | 638.09 g/mol |
| LogP | 3.3437 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 638.0934 |
| Heavy Atoms | 40 |
| Complexity | 1155.0924 |
Chemical Identifiers
| CAS Number | 88013-29-0 |
|---|---|
| SMILES | CN1CC2=C(C(C1)C3=CC=C(C=C3)Br)C=C(S2)CN4CCOCC4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1099954 (CAS 88013-29-0), with molecular formula C27H31BrN2O9S and molecular weight 638.09 g/mol. IUPAC: 4-[[4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]morpholine;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1099954
Property Insights of RefChem:1099954
The XLogP value of 3.3437 indicates that RefChem:1099954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.91 Ų indicates high polarity, suggesting RefChem:1099954 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1099954 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:1099954?
The CAS number of RefChem:1099954 is 88013-29-0.
What is the molecular formula of RefChem:1099954?
The molecular formula of RefChem:1099954 is C27H31BrN2O9S.
What is the molecular weight of RefChem:1099954?
The molecular weight of RefChem:1099954 is 638.09 g/mol.
Where can I buy RefChem:1099954?
You can request a quote for RefChem:1099954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099954?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.