BAS 01849554
TL;DR: BAS 01849554 (CAS 312622-05-2) is a chemical compound with molecular formula C29H28N2O3 and molecular weight 452.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-hydroxyphenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 01849554, BIM-0043659.P001, 6-(3-hydroxyphenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(3-hydroxyphenyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 11-(3-HYDROXYPHENYL)-3,3-DIMETHYL-10-(2-PHENYLACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
| Molecular Formula | C29H28N2O3 |
|---|---|
| Molecular Weight | 452.21 g/mol |
| LogP | 5.7779 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.21 |
| Heavy Atoms | 34 |
| Complexity | 1293.4926 |
Chemical Identifiers
| CAS Number | 312622-05-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC(=CC=C5)O)C(=O)C1)C |
Product Overview
BAS 01849554 (CAS 312622-05-2), with molecular formula C29H28N2O3 and molecular weight 452.21 g/mol. IUPAC: 6-(3-hydroxyphenyl)-9,9-dimethyl-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 01849554
Property Insights of BAS 01849554
The XLogP value of 5.7779 indicates that BAS 01849554 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01849554. Following Lipinski's Rule of Five, BAS 01849554 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01849554?
The CAS number of BAS 01849554 is 312622-05-2.
What is the molecular formula of BAS 01849554?
The molecular formula of BAS 01849554 is C29H28N2O3.
What is the molecular weight of BAS 01849554?
The molecular weight of BAS 01849554 is 452.21 g/mol.
Where can I buy BAS 01849554?
You can request a quote for BAS 01849554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01849554?
Yes, KEHONG BIO provides custom synthesis services for BAS 01849554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.