BAS 05946542
TL;DR: BAS 05946542 (CAS 799252-68-9) is a chemical compound with molecular formula C26H32N2O4 and molecular weight 436.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,9,9-tetramethyl-6-(2,3,4-trimethoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 05946542, 2,3,9,9-tetramethyl-6-(2,3,4-trimethoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one, 3,3,7,8-tetramethyl-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 3,3,7,8-tetramethyl-11-(2,3,4-trimethoxyphenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
| Molecular Formula | C26H32N2O4 |
|---|---|
| Molecular Weight | 436.24 g/mol |
| LogP | 5.55114 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.2362 |
| Heavy Atoms | 32 |
| Complexity | 1117.2953 |
Chemical Identifiers
| CAS Number | 799252-68-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)CC(C3)(C)C |
Product Overview
BAS 05946542 (CAS 799252-68-9), with molecular formula C26H32N2O4 and molecular weight 436.24 g/mol. IUPAC: 2,3,9,9-tetramethyl-6-(2,3,4-trimethoxyphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 05946542
Property Insights of BAS 05946542
The XLogP value of 5.55114 indicates that BAS 05946542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05946542. Following Lipinski's Rule of Five, BAS 05946542 has 2 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 05946542?
The CAS number of BAS 05946542 is 799252-68-9.
What is the molecular formula of BAS 05946542?
The molecular formula of BAS 05946542 is C26H32N2O4.
What is the molecular weight of BAS 05946542?
The molecular weight of BAS 05946542 is 436.24 g/mol.
Where can I buy BAS 05946542?
You can request a quote for BAS 05946542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05946542?
Yes, KEHONG BIO provides custom synthesis services for BAS 05946542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.