RefChem:245403
TL;DR: RefChem:245403 (CAS 17656-20-1) is a chemical compound with molecular formula C15H18ClN3O2 and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(dimethylamino)but-2-ynyl]-3-methylquinazoline-2,4-dione;hydrochloride
Also Known As: 2,4(1H,3H)-Quinazolinedione, 1-(4-(dimethylamino)-2-butynyl)-3-methyl-, monohydrochloride, 1-(4-(Dimethylamino)-2-butynyl)-3-methyl-2,4(1H,3H)-quinazolinedione hydrochloride, 1-[4-(dimethylamino)but-2-ynyl]-3-methylquinazoline-2,4-dione hydrochloride, 1-[4-(Dimethylamino)but-2-yn-1-yl]-3-methylquinazoline-2,4(1H,3H)-dione--hydrogen chloride (1/1), RefChem:245403
| Molecular Formula | C15H18ClN3O2 |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 0.687 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.10876 |
| Heavy Atoms | 21 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 17656-20-1 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2N(C1=O)CC#CCN(C)C.Cl |
| InChIKey | DBYXHYFIYBYDDO-UHFFFAOYSA-N |
Product Overview
RefChem:245403 (CAS 17656-20-1), with molecular formula C15H18ClN3O2 and molecular weight 307.11 g/mol. IUPAC: 1-[4-(dimethylamino)but-2-ynyl]-3-methylquinazoline-2,4-dione;hydrochloride.
Chemical Property Profile of RefChem:245403
Property Insights of RefChem:245403
The XLogP value of 0.687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:245403. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:245403 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:245403 has 1 hydrogen bond donor(s) and 3 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 RefChem:245403?
The CAS number of RefChem:245403 is 17656-20-1.
What is the molecular formula of RefChem:245403?
The molecular formula of RefChem:245403 is C15H18ClN3O2.
What is the molecular weight of RefChem:245403?
The molecular weight of RefChem:245403 is 307.11 g/mol.
Where can I buy RefChem:245403?
You can request a quote for RefChem:245403 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245403?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245403 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.