ChemDiv1_013042
TL;DR: ChemDiv1_013042 (CAS 443351-46-0) is a chemical compound with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
Also Known As: ChemDiv1_013042, ethyl 4-[2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate, ethyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate, ethyl 4-{[({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}thio)acetyl]amino}benzoate
| Molecular Formula | C29H29N3O6S |
|---|---|
| Molecular Weight | 547.18 g/mol |
| LogP | 4.5639 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 547.17773 |
| Heavy Atoms | 39 |
| Complexity | 1534.8317 |
Chemical Identifiers
| CAS Number | 443351-46-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC |
Product Overview
ChemDiv1_013042 (CAS 443351-46-0), with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol. IUPAC: ethyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_013042
Property Insights of ChemDiv1_013042
The XLogP value of 4.5639 indicates that ChemDiv1_013042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013042. Following Lipinski's Rule of Five, ChemDiv1_013042 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_013042?
The CAS number of ChemDiv1_013042 is 443351-46-0.
What is the molecular formula of ChemDiv1_013042?
The molecular formula of ChemDiv1_013042 is C29H29N3O6S.
What is the molecular weight of ChemDiv1_013042?
The molecular weight of ChemDiv1_013042 is 547.18 g/mol.
Where can I buy ChemDiv1_013042?
You can request a quote for ChemDiv1_013042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013042?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.