ChemDiv1_013689
TL;DR: ChemDiv1_013689 (CAS 422286-93-9) is a chemical compound with molecular formula C27H29N5O6S and molecular weight 551.18 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-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide
Also Known As: ChemDiv1_013689, F3407-3900, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]propanamide, N-(3,4-dimethoxyphenethyl)-3-(2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)propanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide
| Molecular Formula | C27H29N5O6S |
|---|---|
| Molecular Weight | 551.18 g/mol |
| LogP | 3.18992 |
| Topological Polar Surface Area | 137.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 551.18384 |
| Heavy Atoms | 39 |
| Complexity | 1532.8788 |
Chemical Identifiers
| CAS Number | 422286-93-9 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)NCCC4=CC(=C(C=C4)OC)OC |
Product Overview
ChemDiv1_013689 (CAS 422286-93-9), with molecular formula C27H29N5O6S and molecular weight 551.18 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanamide.
Chemical Property Profile of ChemDiv1_013689
Property Insights of ChemDiv1_013689
The XLogP value of 3.18992 indicates that ChemDiv1_013689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013689. Following Lipinski's Rule of Five, ChemDiv1_013689 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013689?
The CAS number of ChemDiv1_013689 is 422286-93-9.
What is the molecular formula of ChemDiv1_013689?
The molecular formula of ChemDiv1_013689 is C27H29N5O6S.
What is the molecular weight of ChemDiv1_013689?
The molecular weight of ChemDiv1_013689 is 551.18 g/mol.
Where can I buy ChemDiv1_013689?
You can request a quote for ChemDiv1_013689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013689?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.