Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate
TL;DR: Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate (CAS 40066-25-9) is a chemical compound with molecular formula C16H18ClN5 and molecular weight 315.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-N-benzyl-6-N-methylquinazoline-2,4,6-triamine;hydrochloride
Also Known As: Nc1nc(N)nc2ccc(cc12)N(C)Cc3ccccc3, Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate, 2,4-Diamino-6-(benzylmethylamino)quinazoline hydrochloride hydrate, 2,4,6-Quinazolinetriamine, N(sup 6)-benzyl-N(sup 6)-methyl-, monohydrochloride, hydrate, n6-benzyl-n6-methylquinazoline-2,4,6-triamine hydrochloride(1:1)
| Molecular Formula | C16H18ClN5 |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | 2.8524 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.12506 |
| Heavy Atoms | 22 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 40066-25-9 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N=C3N)N.Cl |
| InChIKey | DPNDJWFXWHOPDI-UHFFFAOYSA-N |
Product Overview
Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate (CAS 40066-25-9), with molecular formula C16H18ClN5 and molecular weight 315.13 g/mol. IUPAC: 6-N-benzyl-6-N-methylquinazoline-2,4,6-triamine;hydrochloride.
Chemical Property Profile of Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate
Property Insights of Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate
The XLogP value of 2.8524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate. Following Lipinski's Rule of Five, Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate 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 Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate?
The CAS number of Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate is 40066-25-9.
What is the molecular formula of Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate?
The molecular formula of Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate is C16H18ClN5.
What is the molecular weight of Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate?
The molecular weight of Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate is 315.13 g/mol.
Where can I buy Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate?
You can request a quote for Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Quinazoline, 6-(benzylmethylamino)-2,4-diamino-, hydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.