RefChem:439307
TL;DR: RefChem:439307 (CAS 59373-54-5) is a chemical compound with molecular formula C21H15NO7S and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxy-13,15-dioxo-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-14-yl)ethanesulfonic acid
Also Known As: 1H-Xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulfonic acid, 9-methoxy-1,3-dioxo-, 1H-Xantheno(2,1,9-def)isoquinoline-2(3H)-ethanesulfonic acid, 9-methoxy-1,3-dioxo-, 2-(9-methoxy-1,3-dioxo-1h-benzo[3,4]isochromeno[7,8,1-def]isoquinolin-2(3h)-yl)ethanesulfonic acid, 9-Methoxy-1,3-dioxo-1H-xantheno(2,1,9-def)isoquinoline-2(3H)-ethanesulphonate acid, 9-Methoxy-1,3-dioxo-1H-xantheno[2,1,9-def]isoquinoline-2(3H)-ethane-1-sulfonic acid
| Molecular Formula | C21H15NO7S |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.05692 |
| Heavy Atoms | 30 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 59373-54-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC3=CC=C4C5=C(C=CC2=C35)C(=O)N(C4=O)CCS(=O)(=O)O |
| InChIKey | OLYCZVDYVLJVAE-UHFFFAOYSA-N |
Product Overview
RefChem:439307 (CAS 59373-54-5), with molecular formula C21H15NO7S and molecular weight 425.06 g/mol. IUPAC: 2-(4-methoxy-13,15-dioxo-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-14-yl)ethanesulfonic acid.
Chemical Property Profile of RefChem:439307
Property Insights of RefChem:439307
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:439307. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:439307. Following Lipinski's Rule of Five, RefChem:439307 has 1 hydrogen bond donor(s) and 7 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:439307?
The CAS number of RefChem:439307 is 59373-54-5.
What is the molecular formula of RefChem:439307?
The molecular formula of RefChem:439307 is C21H15NO7S.
What is the molecular weight of RefChem:439307?
The molecular weight of RefChem:439307 is 425.06 g/mol.
Where can I buy RefChem:439307?
You can request a quote for RefChem:439307 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:439307?
Yes, KEHONG BIO provides custom synthesis services for RefChem:439307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.