1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)-
TL;DR: 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)- (CAS 34017-39-5) is a chemical compound with molecular formula C10H7Cl3N4 and molecular weight 287.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-(2,5,6-trichloropyrimidin-4-yl)benzene-1,3-diamine
Also Known As: 4- -2,5,6-trichloropyrimidine, 4-(m-Aminoanilino)-2,5,6-trichloropyrimidine, Pyrimidine, 4-(m-aminoanilino)-2,5,6-trichloro-, 1,3-Benzenediamine, N-(2,5,6-trichloro-4-pyrimidinyl)-, S-methyl cysteine methyl ester hydrochloride
| Molecular Formula | C10H7Cl3N4 |
|---|---|
| Molecular Weight | 287.97 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.97363 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 34017-39-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C(=NC(=N2)Cl)Cl)Cl)N |
| InChIKey | WWKJYYDDDTUYMI-UHFFFAOYSA-N |
Product Overview
1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)- (CAS 34017-39-5), with molecular formula C10H7Cl3N4 and molecular weight 287.97 g/mol. IUPAC: 3-N-(2,5,6-trichloropyrimidin-4-yl)benzene-1,3-diamine.
Chemical Property Profile of 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)-
Property Insights of 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)-
The XLogP value of 3.9 indicates that 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)-. Following Lipinski's Rule of Five, 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)- 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 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)-?
The CAS number of 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)- is 34017-39-5.
What is the molecular formula of 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)-?
The molecular formula of 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)- is C10H7Cl3N4.
What is the molecular weight of 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)-?
The molecular weight of 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)- is 287.97 g/mol.
Where can I buy 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)-?
You can request a quote for 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, N1-(2,5,6-trichloro-4-pyrimidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.