2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione
TL;DR: 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione (CAS 1213-91-8) is a chemical compound with molecular formula C14H8ClN3O2 and molecular weight 285.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione
Also Known As: 1,4-Naphthoquinone der., 2-chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione, 1,4-Naphthalenedione, 2-chloro-3-(2-pyrimidinylamino)-, 1,4-Naphthalenedione,2-chloro-3-(2-pyrimidinylamino)-, 1,4-Naphthalenedione,2-chloro-3-(2-pyrimidinylamino)
| Molecular Formula | C14H8ClN3O2 |
|---|---|
| Molecular Weight | 285.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.03052 |
| Heavy Atoms | 20 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 1213-91-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=NC=CC=N3 |
| InChIKey | XKPPTDGQYVEREB-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione (CAS 1213-91-8), with molecular formula C14H8ClN3O2 and molecular weight 285.03 g/mol. IUPAC: 2-chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione
Property Insights of 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione 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 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione?
The CAS number of 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione is 1213-91-8.
What is the molecular formula of 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione?
The molecular formula of 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione is C14H8ClN3O2.
What is the molecular weight of 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione?
The molecular weight of 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione is 285.03 g/mol.
Where can I buy 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione?
You can request a quote for 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(pyrimidin-2-ylamino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.