N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam
TL;DR: N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam (CAS 6630-96-2) is a chemical compound with molecular formula C44H50N4O12S2 and molecular weight 890.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-[[3-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Also Known As: N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam, ethyl 2-[[2-(benzyloxycarbonylamino)-3-[[2-(benzyloxycarbonylamino)-3-[[2-ethoxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-3-oxo-propyl]disulfanyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate, ethyl 2-[[3-[[3-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate, Ethyl 8,13-bis(((benzyloxy)carbonyl)amino)-5,16-bis(4-hydroxybenzyl)-4,7,14-trioxo-3-oxa-10,11-dithia-6,15-diazaheptadecan-17-oate
| Molecular Formula | C44H50N4O12S2 |
|---|---|
| Molecular Weight | 890.29 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 27 |
| Exact Mass | 890.2867 |
| Heavy Atoms | 62 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 6630-96-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CSSCC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OCC)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | SHLALRBQKZXJOT-UHFFFAOYSA-N |
Product Overview
N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam (CAS 6630-96-2), with molecular formula C44H50N4O12S2 and molecular weight 890.29 g/mol. IUPAC: ethyl 2-[[3-[[3-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam
Property Insights of N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam
The XLogP value of 5.9 indicates that N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam?
The CAS number of N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam is 6630-96-2.
What is the molecular formula of N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam?
The molecular formula of N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam is C44H50N4O12S2.
What is the molecular weight of N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam?
The molecular weight of N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam is 890.29 g/mol.
Where can I buy N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam?
You can request a quote for N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.