BAS 01174112
TL;DR: BAS 01174112 (CAS 332898-11-0) is a chemical compound with molecular formula C20H21N3O and molecular weight 319.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01174112, 3,3-dimethyl-11-(2-pyridinyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, AN-512/13264020, 14,14-dimethyl-10-(pyridin-2-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one, 9,9-dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C20H21N3O |
|---|---|
| Molecular Weight | 319.17 g/mol |
| LogP | 4.3035 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.16846 |
| Heavy Atoms | 24 |
| Complexity | 823.7874 |
Chemical Identifiers
| CAS Number | 332898-11-0 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=N4)C(=O)C1)C |
Product Overview
BAS 01174112 (CAS 332898-11-0), with molecular formula C20H21N3O and molecular weight 319.17 g/mol. IUPAC: 9,9-dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01174112
Property Insights of BAS 01174112
The XLogP value of 4.3035 indicates that BAS 01174112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, BAS 01174112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01174112 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01174112?
The CAS number of BAS 01174112 is 332898-11-0.
What is the molecular formula of BAS 01174112?
The molecular formula of BAS 01174112 is C20H21N3O.
What is the molecular weight of BAS 01174112?
The molecular weight of BAS 01174112 is 319.17 g/mol.
Where can I buy BAS 01174112?
You can request a quote for BAS 01174112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01174112?
Yes, KEHONG BIO provides custom synthesis services for BAS 01174112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.