RefChem:1057700
TL;DR: RefChem:1057700 (CAS 93361-93-4) is a chemical compound with molecular formula C20H19NO4S and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;2-thia-12-azoniatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene
Also Known As: 1H-(1)Benzothiepino(4,3,2-de)isoquinoline, 2,3,12,12a-tetrahydro-, (Z)-2-butenedioate (1:1), 2,3,12,12a-Tetrahydro-1H-(1)benzothiepino(2,3,4-ed)isoquinoline hydrogen maleate, 1H-(1)BENZOTHIEPINO(4,3,2-de)ISOQUINOLINE, 2,3,12,12a-TETRAHYDRO-, (Z)-2-BUTENED, RefChem:1057700
| Molecular Formula | C20H19NO4S |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 0.9316 |
| Topological Polar Surface Area | 94.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.1035 |
| Heavy Atoms | 26 |
| Complexity | 846.6397 |
Chemical Identifiers
| CAS Number | 93361-93-4 |
|---|---|
| SMILES | C1C2C[NH2+]CC3=C2C(=CC=C3)SC4=CC=CC=C41.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1057700 (CAS 93361-93-4), with molecular formula C20H19NO4S and molecular weight 369.10 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;2-thia-12-azoniatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene.
Chemical Property Profile of RefChem:1057700
Property Insights of RefChem:1057700
The XLogP value of 0.9316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1057700. The TPSA of 94.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057700. Following Lipinski's Rule of Five, RefChem:1057700 has 2 hydrogen bond donor(s) and 4 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:1057700?
The CAS number of RefChem:1057700 is 93361-93-4.
What is the molecular formula of RefChem:1057700?
The molecular formula of RefChem:1057700 is C20H19NO4S.
What is the molecular weight of RefChem:1057700?
The molecular weight of RefChem:1057700 is 369.10 g/mol.
Where can I buy RefChem:1057700?
You can request a quote for RefChem:1057700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057700?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.