BAS 01337688
TL;DR: BAS 01337688 (CAS 337498-99-4) is a chemical compound with molecular formula C27H28N2O4 and molecular weight 444.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: BAS 01337688, 2-amino-4-[4-(benzyloxy)-3-ethoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, 2-amino-4-(4-(benzyloxy)-3-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C27H28N2O4 |
|---|---|
| Molecular Weight | 444.20 g/mol |
| LogP | 5.11518 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.2049 |
| Heavy Atoms | 33 |
| Complexity | 1172.3527 |
Chemical Identifiers
| CAS Number | 337498-99-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC4=CC=CC=C4 |
Product Overview
BAS 01337688 (CAS 337498-99-4), with molecular formula C27H28N2O4 and molecular weight 444.20 g/mol. IUPAC: 2-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of BAS 01337688
Property Insights of BAS 01337688
The XLogP value of 5.11518 indicates that BAS 01337688 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01337688. Following Lipinski's Rule of Five, BAS 01337688 has 1 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 BAS 01337688?
The CAS number of BAS 01337688 is 337498-99-4.
What is the molecular formula of BAS 01337688?
The molecular formula of BAS 01337688 is C27H28N2O4.
What is the molecular weight of BAS 01337688?
The molecular weight of BAS 01337688 is 444.20 g/mol.
Where can I buy BAS 01337688?
You can request a quote for BAS 01337688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01337688?
Yes, KEHONG BIO provides custom synthesis services for BAS 01337688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.