Conformer A
TL;DR: Conformer A (CAS 88629-08-7) is a chemical compound with molecular formula C17H16N2O and molecular weight 264.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-phenyl-1H-1,4-benzodiazepin-3-one
Also Known As: Conformer A, Conformer B, 2,2-dimethyl-5-phenyl-1H-1,4-benzodiazepin-3-one, J1.867.454H, 3H-1,4-Benzodiazepin-3-one, 1,2-dihydro-2,2-dimethyl-5-phenyl-
| Molecular Formula | C17H16N2O |
|---|---|
| Molecular Weight | 264.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.12625 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 88629-08-7 |
|---|---|
| SMILES | CC1(C(=O)N=C(C2=CC=CC=C2N1)C3=CC=CC=C3)C |
| InChIKey | XFGLBBQXQQOWGO-UHFFFAOYSA-N |
Product Overview
Conformer A (CAS 88629-08-7), with molecular formula C17H16N2O and molecular weight 264.13 g/mol. IUPAC: 2,2-dimethyl-5-phenyl-1H-1,4-benzodiazepin-3-one.
Chemical Property Profile of Conformer A
Property Insights of Conformer A
The XLogP value of 3.6 indicates that Conformer A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, Conformer A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Conformer A has 1 hydrogen bond donor(s) and 2 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 Conformer A?
The CAS number of Conformer A is 88629-08-7.
What is the molecular formula of Conformer A?
The molecular formula of Conformer A is C17H16N2O.
What is the molecular weight of Conformer A?
The molecular weight of Conformer A is 264.13 g/mol.
Where can I buy Conformer A?
You can request a quote for Conformer A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Conformer A?
Yes, KEHONG BIO provides custom synthesis services for Conformer A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.