ChemDiv1_003870
TL;DR: ChemDiv1_003870 (CAS 329934-99-8) is a chemical compound with molecular formula C27H29NO5 and molecular weight 447.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-7,7-dimethyl-5-oxo-4-(4-phenylmethoxyphenyl)-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_003870, ethyl 2-amino-4-[4-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-(4-(benzyloxy)phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, ethyl 2-amino-7,7-dimethyl-5-oxo-4-(4-phenylmethoxyphenyl)-6,8-dihydro-4H-chromene-3-carboxylate, ethyl 2-amino-7,7-dimethyl-5-oxo-4-[4-(phenylmethoxy)phenyl]-4H-6,7,8-trihydro chromene-3-carboxylate
| Molecular Formula | C27H29NO5 |
|---|---|
| Molecular Weight | 447.20 g/mol |
| LogP | 4.756 |
| Topological Polar Surface Area | 87.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.20456 |
| Heavy Atoms | 33 |
| Complexity | 1112.9606 |
Chemical Identifiers
| CAS Number | 329934-99-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C)N |
Product Overview
ChemDiv1_003870 (CAS 329934-99-8), with molecular formula C27H29NO5 and molecular weight 447.20 g/mol. IUPAC: ethyl 2-amino-7,7-dimethyl-5-oxo-4-(4-phenylmethoxyphenyl)-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003870
Property Insights of ChemDiv1_003870
The XLogP value of 4.756 indicates that ChemDiv1_003870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003870. Following Lipinski's Rule of Five, ChemDiv1_003870 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_003870?
The CAS number of ChemDiv1_003870 is 329934-99-8.
What is the molecular formula of ChemDiv1_003870?
The molecular formula of ChemDiv1_003870 is C27H29NO5.
What is the molecular weight of ChemDiv1_003870?
The molecular weight of ChemDiv1_003870 is 447.20 g/mol.
Where can I buy ChemDiv1_003870?
You can request a quote for ChemDiv1_003870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003870?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.