4-Pentenoic acid,2,2-dichloro-,2-propenyl ester
TL;DR: 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester (CAS 1059-45-6) is a chemical compound with molecular formula C23H23Cl3N3OP and molecular weight 493.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2λ5-diazaphosphinan-2-amine
Also Known As: 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester, N-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3, N-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2, 2-(4-Chloroanilino)-1,3-bis[(4-chlorophenyl)methyl]-1,3,2lambda~5~-diazaphosphinan-2-one, N-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2
| Molecular Formula | C23H23Cl3N3OP |
|---|---|
| Molecular Weight | 493.06 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.06442 |
| Heavy Atoms | 31 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 1059-45-6 |
|---|---|
| SMILES | C1CN(P(=O)(N(C1)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl |
| InChIKey | MZNTWSMWROXUKV-UHFFFAOYSA-N |
Product Overview
4-Pentenoic acid,2,2-dichloro-,2-propenyl ester (CAS 1059-45-6), with molecular formula C23H23Cl3N3OP and molecular weight 493.06 g/mol. IUPAC: N-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2λ5-diazaphosphinan-2-amine.
Chemical Property Profile of 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester
Property Insights of 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester
The XLogP value of 6.7 indicates that 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester?
The CAS number of 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester is 1059-45-6.
What is the molecular formula of 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester?
The molecular formula of 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester is C23H23Cl3N3OP.
What is the molecular weight of 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester?
The molecular weight of 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester is 493.06 g/mol.
Where can I buy 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester?
You can request a quote for 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenoic acid,2,2-dichloro-,2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.