ChemDiv1_013383
TL;DR: ChemDiv1_013383 (CAS 422286-94-0) is a chemical compound with molecular formula C30H29N5O5S and molecular weight 571.19 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-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]propanamide
Also Known As: ChemDiv1_013383, F3407-3901, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{4-oxo-2-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}propanamide, N-(3,4-dimethoxyphenethyl)-3-(4-oxo-2-(((4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl)thio)quinazolin-3(4H)-yl)propanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]propanamide
| Molecular Formula | C30H29N5O5S |
|---|---|
| Molecular Weight | 571.19 g/mol |
| LogP | 3.4629 |
| Topological Polar Surface Area | 116.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 571.18896 |
| Heavy Atoms | 41 |
| Complexity | 1834.7552 |
Chemical Identifiers
| CAS Number | 422286-94-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CC=CC5=N4)OC |
Product Overview
ChemDiv1_013383 (CAS 422286-94-0), with molecular formula C30H29N5O5S and molecular weight 571.19 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]propanamide.
Chemical Property Profile of ChemDiv1_013383
Property Insights of ChemDiv1_013383
The XLogP value of 3.4629 indicates that ChemDiv1_013383 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013383. Following Lipinski's Rule of Five, ChemDiv1_013383 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013383?
The CAS number of ChemDiv1_013383 is 422286-94-0.
What is the molecular formula of ChemDiv1_013383?
The molecular formula of ChemDiv1_013383 is C30H29N5O5S.
What is the molecular weight of ChemDiv1_013383?
The molecular weight of ChemDiv1_013383 is 571.19 g/mol.
Where can I buy ChemDiv1_013383?
You can request a quote for ChemDiv1_013383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013383?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.