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3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
TL;DR: 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide (CAS 55096-65-6) is a chemical compound with molecular formula C16H13Cl2N5O and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
Also Known As: 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide, 2,4-Diamino-6-[3,4-dichlorobenzamidomethyl]quinazoline, 3,4-Dichloro-N-((2,4-diaminoquinazolin-6-yl)methyl)benzamide, Benzamide, 3,4-dichloro-N-[(2,4-diamino-6-quinazolinyl)methyl]-, 3,4-Dichloro-N-(2,4-diamino-quinazolin-6-ylmethyl)-benzamide
| Molecular Formula | C16H13Cl2N5O |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.0497 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 55096-65-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1CNC(=O)C3=CC(=C(C=C3)Cl)Cl)C(=NC(=N2)N)N |
| InChIKey | RRTMRKLLOHPKRG-UHFFFAOYSA-N |
Product Overview
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide (CAS 55096-65-6), with molecular formula C16H13Cl2N5O and molecular weight 361.05 g/mol. IUPAC: 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide.
Chemical Property Profile of 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
Property Insights of 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide. Following Lipinski's Rule of Five, 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide has 3 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 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide?
The CAS number of 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide is 55096-65-6.
What is the molecular formula of 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide?
The molecular formula of 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide is C16H13Cl2N5O.
What is the molecular weight of 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide?
The molecular weight of 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide is 361.05 g/mol.
Where can I buy 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide?
You can request a quote for 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.