BAS 13120412
TL;DR: BAS 13120412 (CAS 488812-98-2) is a chemical compound with molecular formula C31H31FN2O2 and molecular weight 482.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-fluorophenyl)-5-hexanoyl-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 13120412, 11-(2-fluorophenyl)-10-hexanoyl-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(2-fluorophenyl)-5-hexanoyl-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one, 1-[11-(2-fluorophenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
| Molecular Formula | C31H31FN2O2 |
|---|---|
| Molecular Weight | 482.24 g/mol |
| LogP | 7.3066 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.23697 |
| Heavy Atoms | 36 |
| Complexity | 1300.6924 |
Chemical Identifiers
| CAS Number | 488812-98-2 |
|---|---|
| SMILES | CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC4=CC=CC=C41)C5=CC=CC=C5F |
Product Overview
BAS 13120412 (CAS 488812-98-2), with molecular formula C31H31FN2O2 and molecular weight 482.24 g/mol. IUPAC: 6-(2-fluorophenyl)-5-hexanoyl-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 13120412
Property Insights of BAS 13120412
The XLogP value of 7.3066 indicates that BAS 13120412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, BAS 13120412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13120412 has 1 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 BAS 13120412?
The CAS number of BAS 13120412 is 488812-98-2.
What is the molecular formula of BAS 13120412?
The molecular formula of BAS 13120412 is C31H31FN2O2.
What is the molecular weight of BAS 13120412?
The molecular weight of BAS 13120412 is 482.24 g/mol.
Where can I buy BAS 13120412?
You can request a quote for BAS 13120412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13120412?
Yes, KEHONG BIO provides custom synthesis services for BAS 13120412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.