CAS 750623-77-9 - C29H30N4O3S
TL;DR: CAS 750623-77-9 - C29H30N4O3S (CAS 750623-77-9) is a chemical compound with molecular formula C29H30N4O3S and molecular weight 514.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-cyano-3-(4-ethoxyanilino)-N-(2-methylphenyl)-3-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylprop-2-enamide
Also Known As: 2-cyano-3-[(4-ethoxyphenyl)amino]-N-(2-methylphenyl)-3-({[(1-phenylethyl)carbamoyl]methyl}sulfanyl)prop-2-enamide
| Molecular Formula | C29H30N4O3S |
|---|---|
| Molecular Weight | 514.20 g/mol |
| LogP | 5.7901 |
| Topological Polar Surface Area | 103.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 514.20386 |
| Heavy Atoms | 37 |
| Complexity | 1284.5088 |
Chemical Identifiers
| CAS Number | 750623-77-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N/C(=C(\C#N)/C(=O)NC2=CC=CC=C2C)/SCC(=O)NC(C)C3=CC=CC=C3 |
Product Overview
CAS 750623-77-9 - C29H30N4O3S (CAS 750623-77-9), with molecular formula C29H30N4O3S and molecular weight 514.20 g/mol. IUPAC: (Z)-2-cyano-3-(4-ethoxyanilino)-N-(2-methylphenyl)-3-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylprop-2-enamide.
Chemical Property Profile of CAS 750623-77-9 - C29H30N4O3S
Property Insights of CAS 750623-77-9 - C29H30N4O3S
The XLogP value of 5.7901 indicates that CAS 750623-77-9 - C29H30N4O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.25 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 750623-77-9 - C29H30N4O3S. Following Lipinski's Rule of Five, CAS 750623-77-9 - C29H30N4O3S has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 750623-77-9 - C29H30N4O3S?
The CAS number of CAS 750623-77-9 - C29H30N4O3S is 750623-77-9.
What is the molecular formula of CAS 750623-77-9 - C29H30N4O3S?
The molecular formula of CAS 750623-77-9 - C29H30N4O3S is C29H30N4O3S.
What is the molecular weight of CAS 750623-77-9 - C29H30N4O3S?
The molecular weight of CAS 750623-77-9 - C29H30N4O3S is 514.20 g/mol.
Where can I buy CAS 750623-77-9 - C29H30N4O3S?
You can request a quote for CAS 750623-77-9 - C29H30N4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 750623-77-9 - C29H30N4O3S?
Yes, KEHONG BIO provides custom synthesis services for CAS 750623-77-9 - C29H30N4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.