BAS 01849544
TL;DR: BAS 01849544 (CAS 312622-01-8) is a chemical compound with molecular formula C29H27FN2O2 and molecular weight 454.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-fluorophenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01849544, BIM-0041848.P001, (E)-1,4-Dibromo-2,3-dimethyl-2-butene, (2E)-1,4-Dibromo-2,3-dimethyl-2-butene, 6-(3-fluorophenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C29H27FN2O2 |
|---|---|
| Molecular Weight | 454.21 g/mol |
| LogP | 6.2114 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.20566 |
| Heavy Atoms | 34 |
| Complexity | 1296.2474 |
Chemical Identifiers
| CAS Number | 312622-01-8 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC(=CC=C5)F)C(=O)C1)C |
Product Overview
BAS 01849544 (CAS 312622-01-8), with molecular formula C29H27FN2O2 and molecular weight 454.21 g/mol. IUPAC: 6-(3-fluorophenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01849544
Property Insights of BAS 01849544
The XLogP value of 6.2114 indicates that BAS 01849544 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 01849544 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01849544 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 01849544?
The CAS number of BAS 01849544 is 312622-01-8.
What is the molecular formula of BAS 01849544?
The molecular formula of BAS 01849544 is C29H27FN2O2.
What is the molecular weight of BAS 01849544?
The molecular weight of BAS 01849544 is 454.21 g/mol.
Where can I buy BAS 01849544?
You can request a quote for BAS 01849544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01849544?
Yes, KEHONG BIO provides custom synthesis services for BAS 01849544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.