RefChem:412940
TL;DR: RefChem:412940 (CAS 100596-38-1) is a chemical compound with molecular formula C18H17NO7 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(2-amino-4-methoxycarbonylphenoxy)benzene-1,3-dicarboxylate
Also Known As: TimTec1_008347, BAS 00116968, 1,3-Benzenedicarboxylic acid, 5-(2-amino-4-(methoxycarbonyl)phenoxy)-, dimethyl ester, Dimethyl 5-(2-amino-4-(methoxycarbonyl)phenoxy)isophthalate, 2,2,4,4,5,5-HEXABROMODIPHENYLETHER
| Molecular Formula | C18H17NO7 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.1005 |
| Heavy Atoms | 26 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 100596-38-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)N |
| InChIKey | XPNBOEYBQIADSG-UHFFFAOYSA-N |
Product Overview
RefChem:412940 (CAS 100596-38-1), with molecular formula C18H17NO7 and molecular weight 359.10 g/mol. IUPAC: dimethyl 5-(2-amino-4-methoxycarbonylphenoxy)benzene-1,3-dicarboxylate.
Chemical Property Profile of RefChem:412940
Property Insights of RefChem:412940
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:412940. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:412940. Following Lipinski's Rule of Five, RefChem:412940 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:412940?
The CAS number of RefChem:412940 is 100596-38-1.
What is the molecular formula of RefChem:412940?
The molecular formula of RefChem:412940 is C18H17NO7.
What is the molecular weight of RefChem:412940?
The molecular weight of RefChem:412940 is 359.10 g/mol.
Where can I buy RefChem:412940?
You can request a quote for RefChem:412940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:412940?
Yes, KEHONG BIO provides custom synthesis services for RefChem:412940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.