![Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate structure](/static/products/906/906730-66-3.png)
Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate
TL;DR: Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate (CAS 906730-66-3) is a chemical compound with molecular formula C17H20Cl3N3O2S and molecular weight 435.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate, methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C17H20Cl3N3O2S |
|---|---|
| Molecular Weight | 435.03 g/mol |
| LogP | 3.5898 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.03418 |
| Heavy Atoms | 26 |
| Complexity | 721.2047 |
Chemical Identifiers
| CAS Number | 906730-66-3 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=C(C=C2)N(CCCl)CCCl)Cl)C(=O)OC |
Product Overview
Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate (CAS 906730-66-3), with molecular formula C17H20Cl3N3O2S and molecular weight 435.03 g/mol. IUPAC: methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate
Property Insights of Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate
The XLogP value of 3.5898 indicates that Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate has 2 hydrogen bond donor(s) and 4 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 Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate?
The CAS number of Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate is 906730-66-3.
What is the molecular formula of Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate?
The molecular formula of Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate is C17H20Cl3N3O2S.
What is the molecular weight of Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate?
The molecular weight of Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate is 435.03 g/mol.
Where can I buy Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate?
You can request a quote for Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.