(C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-
TL;DR: (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x- (CAS 103513-16-2) is a chemical compound with molecular formula C22H35NO5 and molecular weight 393.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane;prop-2-enenitrile;styrene
Also Known As: (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane;prop-2-enenitrile;styrene, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-methyloxirane; Oxirane; Prop-2-enenitrile; Styrene, 2-Propenenitrile, polymer with ethenylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, methyloxir, 2-Propenenitrile, polymer with ethenylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, methyloxirane and oxirane
| Molecular Formula | C22H35NO5 |
|---|---|
| Molecular Weight | 393.25 g/mol |
| LogP | 2.80698 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.25153 |
| Heavy Atoms | 28 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 103513-16-2 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC1CO1.C=CC#N.C=CC1=CC=CC=C1.C1CO1 |
| InChIKey | SCQRMFUNKUNZEK-UHFFFAOYSA-N |
Product Overview
(C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x- (CAS 103513-16-2), with molecular formula C22H35NO5 and molecular weight 393.25 g/mol. IUPAC: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methyloxirane;oxirane;prop-2-enenitrile;styrene.
Chemical Property Profile of (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-
Property Insights of (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-
The XLogP value of 2.80698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-. Following Lipinski's Rule of Five, (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x- has 3 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 (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-?
The CAS number of (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x- is 103513-16-2.
What is the molecular formula of (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-?
The molecular formula of (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x- is C22H35NO5.
What is the molecular weight of (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-?
The molecular weight of (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x- is 393.25 g/mol.
Where can I buy (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-?
You can request a quote for (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x-?
Yes, KEHONG BIO provides custom synthesis services for (C8-H8.C6-H14-O3.C3-H6-O.C3-H3-N.C2-H4-O)x- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.