RefChem:1052340
TL;DR: RefChem:1052340 (CAS 84646-88-8) is a chemical compound with molecular formula C30H35ClN2O11 and molecular weight 634.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);N-[(9-chloro-3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
Also Known As: 1,2-Ethanediamine, N'-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-N,N-diethyl-, (Z)-2-butenedioate (1:2), RefChem:1052340
| Molecular Formula | C30H35ClN2O11 |
|---|---|
| Molecular Weight | 634.19 g/mol |
| LogP | 3.956 |
| Topological Polar Surface Area | 192.16 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 634.19293 |
| Heavy Atoms | 44 |
| Complexity | 1278.023 |
Chemical Identifiers
| CAS Number | 84646-88-8 |
|---|---|
| SMILES | CCN(CCNCC1OC2C3=C(OC4=CC=CC=C4C2O1)C=CC(=C3)Cl)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052340 (CAS 84646-88-8), with molecular formula C30H35ClN2O11 and molecular weight 634.19 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N-[(9-chloro-3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)methyl]-N',N'-diethylethane-1,2-diamine.
Chemical Property Profile of RefChem:1052340
Property Insights of RefChem:1052340
The XLogP value of 3.956 indicates that RefChem:1052340 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.16 Ų indicates high polarity, suggesting RefChem:1052340 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1052340 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1052340?
The CAS number of RefChem:1052340 is 84646-88-8.
What is the molecular formula of RefChem:1052340?
The molecular formula of RefChem:1052340 is C30H35ClN2O11.
What is the molecular weight of RefChem:1052340?
The molecular weight of RefChem:1052340 is 634.19 g/mol.
Where can I buy RefChem:1052340?
You can request a quote for RefChem:1052340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052340?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.