Kemira 9051/3A
TL;DR: Kemira 9051/3A (CAS 65280-32-2) is a chemical compound with molecular formula C35H36Cl2N6O5S and molecular weight 722.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole;methyl N-(1H-benzimidazol-2-yl)carbamate;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Also Known As: Kemira 9051/3A, 9051/3A, Carbamic acid, 1H-benzimidazole-2-yl-, methyl ester mixt. with 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-1H-imidazole and 5,6-dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide, 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole; methyl N-(1H-benzimidazol-2-yl)carbamate; 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
| Molecular Formula | C35H36Cl2N6O5S |
|---|---|
| Molecular Weight | 722.18 g/mol |
| LogP | 8.495 |
| Topological Polar Surface Area | 132.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 722.1845 |
| Heavy Atoms | 49 |
| Complexity | 1816.9065 |
Chemical Identifiers
| CAS Number | 65280-32-2 |
|---|---|
| SMILES | CC1=C(SCCO1)C(=O)NC2=CC=CC=C2.COC(=O)NC1=NC2=CC=CC=C2N1.C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
Kemira 9051/3A (CAS 65280-32-2), with molecular formula C35H36Cl2N6O5S and molecular weight 722.18 g/mol. IUPAC: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole;methyl N-(1H-benzimidazol-2-yl)carbamate;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
Chemical Property Profile of Kemira 9051/3A
Property Insights of Kemira 9051/3A
The XLogP value of 8.495 indicates that Kemira 9051/3A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Kemira 9051/3A. Following Lipinski's Rule of Five, Kemira 9051/3A has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kemira 9051/3A?
The CAS number of Kemira 9051/3A is 65280-32-2.
What is the molecular formula of Kemira 9051/3A?
The molecular formula of Kemira 9051/3A is C35H36Cl2N6O5S.
What is the molecular weight of Kemira 9051/3A?
The molecular weight of Kemira 9051/3A is 722.18 g/mol.
Where can I buy Kemira 9051/3A?
You can request a quote for Kemira 9051/3A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kemira 9051/3A?
Yes, KEHONG BIO provides custom synthesis services for Kemira 9051/3A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.