C17-H19-N-O-S.C2-H2-O4
TL;DR: C17-H19-N-O-S.C2-H2-O4 (CAS 82387-11-9) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate
Also Known As: N-Methyl-11H-dibenz(b,f)-1,4-oxathiepin-11-propanamine oxalate, 11-(3-Methylaminopropyl)-11H-dibenzo(b,f)-1,4-oxathiepin hydrogen oxalate, 11H-DIBENZ(b,f)-1,4-OXATHIEPIN-11-PROPANAMINE, N-METHYL-, ETHANEDIOATE, 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-methylazanium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 1.42 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 82387-11-9 |
|---|---|
| SMILES | C[NH2+]CCCC1C2=CC=CC=C2OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O |
| InChIKey | BLYDUCXITICPMK-UHFFFAOYSA-N |
Product Overview
C17-H19-N-O-S.C2-H2-O4 (CAS 82387-11-9), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of C17-H19-N-O-S.C2-H2-O4
Property Insights of C17-H19-N-O-S.C2-H2-O4
The XLogP value of 1.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17-H19-N-O-S.C2-H2-O4. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C17-H19-N-O-S.C2-H2-O4. Following Lipinski's Rule of Five, C17-H19-N-O-S.C2-H2-O4 has 2 hydrogen bond donor(s) and 6 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 C17-H19-N-O-S.C2-H2-O4?
The CAS number of C17-H19-N-O-S.C2-H2-O4 is 82387-11-9.
What is the molecular formula of C17-H19-N-O-S.C2-H2-O4?
The molecular formula of C17-H19-N-O-S.C2-H2-O4 is C19H21NO5S.
What is the molecular weight of C17-H19-N-O-S.C2-H2-O4?
The molecular weight of C17-H19-N-O-S.C2-H2-O4 is 375.11 g/mol.
Where can I buy C17-H19-N-O-S.C2-H2-O4?
You can request a quote for C17-H19-N-O-S.C2-H2-O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17-H19-N-O-S.C2-H2-O4?
Yes, KEHONG BIO provides custom synthesis services for C17-H19-N-O-S.C2-H2-O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.