ChemDiv1_013968
TL;DR: ChemDiv1_013968 (CAS 451467-12-2) is a chemical compound with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: ChemDiv1_013968, F0916-6395, N-(3,4-dimethoxyphenethyl)-3-(2-methoxybenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
| Molecular Formula | C27H27N3O5S |
|---|---|
| Molecular Weight | 505.17 g/mol |
| LogP | 4.10569 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.16714 |
| Heavy Atoms | 36 |
| Complexity | 1526.3661 |
Chemical Identifiers
| CAS Number | 451467-12-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4OC)OC |
Product Overview
ChemDiv1_013968 (CAS 451467-12-2), with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of ChemDiv1_013968
Property Insights of ChemDiv1_013968
The XLogP value of 4.10569 indicates that ChemDiv1_013968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013968. Following Lipinski's Rule of Five, ChemDiv1_013968 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013968?
The CAS number of ChemDiv1_013968 is 451467-12-2.
What is the molecular formula of ChemDiv1_013968?
The molecular formula of ChemDiv1_013968 is C27H27N3O5S.
What is the molecular weight of ChemDiv1_013968?
The molecular weight of ChemDiv1_013968 is 505.17 g/mol.
Where can I buy ChemDiv1_013968?
You can request a quote for ChemDiv1_013968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013968?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.