Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester
TL;DR: Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester (CAS 4627-00-3) is a chemical compound with molecular formula C26H33N3O4S2 and molecular weight 515.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
Also Known As: Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester, 2-ETHYLSULFANYL-10-[3-(4-METHYLPIPERAZIN-1-YL)PROPYL]PHENOTHIAZINE MALEATE, but-2-enedioic acid,2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine, but-2-enedioic acid; 2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine, But-2-enedioic acid;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
| Molecular Formula | C26H33N3O4S2 |
|---|---|
| Molecular Weight | 515.19 g/mol |
| LogP | 4.7506 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.1912 |
| Heavy Atoms | 35 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 4627-00-3 |
|---|---|
| SMILES | CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=CC(=O)O)C(=O)O |
| InChIKey | FBZFLZSBKWFFRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester (CAS 4627-00-3), with molecular formula C26H33N3O4S2 and molecular weight 515.19 g/mol. IUPAC: but-2-enedioic acid;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine.
Chemical Property Profile of Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester
Property Insights of Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester
The XLogP value of 4.7506 indicates that Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester. Following Lipinski's Rule of Five, Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester?
The CAS number of Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester is 4627-00-3.
What is the molecular formula of Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester?
The molecular formula of Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester is C26H33N3O4S2.
What is the molecular weight of Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester?
The molecular weight of Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester is 515.19 g/mol.
Where can I buy Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester?
You can request a quote for Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidic acid,N-phenyl-N-2-propenyl-,methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.