1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚
TL;DR: 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚 (CAS 111889-42-0) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚
4-methoxy-1λ6,5-benzothiazepine 1,1-dioxide
Also Known As: 4-methoxy-1, 4-Methoxy-1,1-dioxide, 1,1-Dioxido-1,5-benzothiazepin-4-yl methyl ether, 4-Methoxy-1,5-benzothiazepine 1,1-dioxide, NCI60_005688
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 111889-42-0 |
|---|---|
| SMILES | COC1=NC2=CC=CC=C2S(=O)(=O)C=C1 |
| InChIKey | RMBDJWKSEQLZLA-UHFFFAOYSA-N |
Product Overview
1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚 (CAS 111889-42-0), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: 4-methoxy-1λ6,5-benzothiazepine 1,1-dioxide.
Chemical Property Profile of 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚
Property Insights of 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚. Following Lipinski's Rule of Five, 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚 has 0 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 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚?
The CAS number of 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚 is 111889-42-0.
What is the molecular formula of 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚?
The molecular formula of 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚 is C10H9NO3S.
What is the molecular weight of 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚?
The molecular weight of 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚 is 223.03 g/mol.
Where can I buy 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚?
You can request a quote for 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚?
Yes, KEHONG BIO provides custom synthesis services for 1,1-二氧代-1,5-苯并硫氮杂卓-4-基 甲基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.