(C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-
TL;DR: (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x- (CAS 67953-68-8) is a chemical compound with molecular formula C21H34N2O8S and molecular weight 474.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl prop-2-enoate;2-methylprop-2-enoic acid;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enenitrile
Also Known As: (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-, 2-Propenoic acid, 2-methyl-, polymer with butyl 2-propenoate, 2-methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid and 2-propenenitrile, Butyl acrylate, acrylonitrile, methacrylic acid, 2-acrylamido-2-methylpropanesulfonic acid polymer, 2-Propenoic acid, 2-methyl-, polymer with butyl 2-propenoate, 2-methyl-2-((1-oxo-2-propen-1-yl)amino)-1-propanesulfonic acid and 2-propenenitrile, 2-Propenoic acid, 2-methyl-, polymer with butyl 2-propenoate, 2-methyl-2-((1-oxo-2-propenyl)amino)-1-propanesulfonic acid and 2-propenenitrile
| Molecular Formula | C21H34N2O8S |
|---|---|
| Molecular Weight | 474.20 g/mol |
| LogP | 2.81378 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 474.20358 |
| Heavy Atoms | 32 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 67953-68-8 |
|---|---|
| SMILES | CCCCOC(=O)C=C.CC(=C)C(=O)O.CC(C)(CS(=O)(=O)O)NC(=O)C=C.C=CC#N |
| InChIKey | IYVKRHBGJLAYJZ-UHFFFAOYSA-N |
Product Overview
(C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x- (CAS 67953-68-8), with molecular formula C21H34N2O8S and molecular weight 474.20 g/mol. IUPAC: butyl prop-2-enoate;2-methylprop-2-enoic acid;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;prop-2-enenitrile.
Chemical Property Profile of (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-
Property Insights of (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-
The XLogP value of 2.81378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-. The TPSA of 179.0 Ų indicates high polarity, suggesting (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x- has 3 hydrogen bond donor(s) and 9 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 (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-?
The CAS number of (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x- is 67953-68-8.
What is the molecular formula of (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-?
The molecular formula of (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x- is C21H34N2O8S.
What is the molecular weight of (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-?
The molecular weight of (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x- is 474.20 g/mol.
Where can I buy (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-?
You can request a quote for (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x-?
Yes, KEHONG BIO provides custom synthesis services for (C7-H13-N-O4-S.C7-H12-O2.C4-H6-O2.C3-H3-N)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.