A2847/0120171
TL;DR: A2847/0120171 (CAS 442671-62-7) is a chemical compound with molecular formula C25H30N2O and molecular weight 374.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-tert-butylphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: A2847/0120171, 11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(4-(tert-butyl)phenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(4-tert-Butyl-phenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-dibenzo[b,E][1,4]diazepin-1-one, 11-(4-tert-butylphenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
| Molecular Formula | C25H30N2O |
|---|---|
| Molecular Weight | 374.24 g/mol |
| LogP | 6.206 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.2358 |
| Heavy Atoms | 28 |
| Complexity | 945.2583 |
Chemical Identifiers
| CAS Number | 442671-62-7 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)C(C)(C)C)C(=O)C1)C |
Product Overview
A2847/0120171 (CAS 442671-62-7), with molecular formula C25H30N2O and molecular weight 374.24 g/mol. IUPAC: 6-(4-tert-butylphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of A2847/0120171
Property Insights of A2847/0120171
The XLogP value of 6.206 indicates that A2847/0120171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, A2847/0120171 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2847/0120171 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2847/0120171?
The CAS number of A2847/0120171 is 442671-62-7.
What is the molecular formula of A2847/0120171?
The molecular formula of A2847/0120171 is C25H30N2O.
What is the molecular weight of A2847/0120171?
The molecular weight of A2847/0120171 is 374.24 g/mol.
Where can I buy A2847/0120171?
You can request a quote for A2847/0120171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2847/0120171?
Yes, KEHONG BIO provides custom synthesis services for A2847/0120171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.