BAS 05946557
TL;DR: BAS 05946557 (CAS 573693-89-7) is a chemical compound with molecular formula C25H30N2O4 and molecular weight 422.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 05946557, 11-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-3,3,7,8-TETRAMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 11-(4-hydroxy-3,5-dimethoxyphenyl)-3,3,7,8-tetramethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 6-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C25H30N2O4 |
|---|---|
| Molecular Weight | 422.22 g/mol |
| LogP | 5.24814 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.22055 |
| Heavy Atoms | 31 |
| Complexity | 1075.9363 |
Chemical Identifiers
| CAS Number | 573693-89-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C(=C4)OC)O)OC)C(=O)CC(C3)(C)C |
Product Overview
BAS 05946557 (CAS 573693-89-7), with molecular formula C25H30N2O4 and molecular weight 422.22 g/mol. IUPAC: 6-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 05946557
Property Insights of BAS 05946557
The XLogP value of 5.24814 indicates that BAS 05946557 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05946557. Following Lipinski's Rule of Five, BAS 05946557 has 3 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 05946557?
The CAS number of BAS 05946557 is 573693-89-7.
What is the molecular formula of BAS 05946557?
The molecular formula of BAS 05946557 is C25H30N2O4.
What is the molecular weight of BAS 05946557?
The molecular weight of BAS 05946557 is 422.22 g/mol.
Where can I buy BAS 05946557?
You can request a quote for BAS 05946557 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05946557?
Yes, KEHONG BIO provides custom synthesis services for BAS 05946557 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.