BAS 02101766
TL;DR: BAS 02101766 (CAS 333307-82-7) is a chemical compound with molecular formula C28H28N2O3 and molecular weight 440.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02101766, 3-(2-Ethoxyphenyl)-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,E][1,4]diazepin-1-one, 9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C28H28N2O3 |
|---|---|
| Molecular Weight | 440.21 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.21 |
| Heavy Atoms | 33 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 333307-82-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)C(=O)C2 |
| InChIKey | RKAPRONBLMDNBI-UHFFFAOYSA-N |
Product Overview
BAS 02101766 (CAS 333307-82-7), with molecular formula C28H28N2O3 and molecular weight 440.21 g/mol. IUPAC: 9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02101766
Property Insights of BAS 02101766
The XLogP value of 5.1 indicates that BAS 02101766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, BAS 02101766 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02101766 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02101766?
The CAS number of BAS 02101766 is 333307-82-7.
What is the molecular formula of BAS 02101766?
The molecular formula of BAS 02101766 is C28H28N2O3.
What is the molecular weight of BAS 02101766?
The molecular weight of BAS 02101766 is 440.21 g/mol.
Where can I buy BAS 02101766?
You can request a quote for BAS 02101766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02101766?
Yes, KEHONG BIO provides custom synthesis services for BAS 02101766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.