p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester
TL;DR: p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester (CAS 64624-56-2) is a chemical compound with molecular formula C12H14ClN3O4 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylbenzoate
Also Known As: p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester, 3-(3-(2-Chloroethyl)-3-nitrosoureido)-p-toluic acid methyl ester, Benzoic acid, 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-4-methyl-, methyl ester, methyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylbenzoate, 3-[3-(2-Chloroethyl)-3-nitrosoureido]-p-toluic acid methyl ester
| Molecular Formula | C12H14ClN3O4 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 2.53572 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0673 |
| Heavy Atoms | 20 |
| Complexity | 521.42395 |
Chemical Identifiers
| CAS Number | 64624-56-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)NC(=O)N(CCCl)N=O |
Product Overview
p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester (CAS 64624-56-2), with molecular formula C12H14ClN3O4 and molecular weight 299.07 g/mol. IUPAC: methyl 3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylbenzoate.
Chemical Property Profile of p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester
Property Insights of p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester
The XLogP value of 2.53572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester. Following Lipinski's Rule of Five, p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester has 1 hydrogen bond donor(s) and 5 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 p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester?
The CAS number of p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester is 64624-56-2.
What is the molecular formula of p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester?
The molecular formula of p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester is C12H14ClN3O4.
What is the molecular weight of p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester?
The molecular weight of p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester is 299.07 g/mol.
Where can I buy p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester?
You can request a quote for p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Toluic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.