TimTec1_006325
TL;DR: TimTec1_006325 (CAS 1005262-72-5) is a chemical compound with molecular formula C22H21BrN2O3 and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(3-bromophenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: TimTec1_006325, BAS 09588481, methyl 11-(3-bromophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, A3224/0136842, methyl 6-(3-bromophenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C22H21BrN2O3 |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 4.68 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.07355 |
| Heavy Atoms | 28 |
| Complexity | 985.2521 |
Chemical Identifiers
| CAS Number | 1005262-72-5 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)Br)C(=O)C1C(=O)OC |
Product Overview
TimTec1_006325 (CAS 1005262-72-5), with molecular formula C22H21BrN2O3 and molecular weight 440.07 g/mol. IUPAC: methyl 6-(3-bromophenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of TimTec1_006325
Property Insights of TimTec1_006325
The XLogP value of 4.68 indicates that TimTec1_006325 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_006325. Following Lipinski's Rule of Five, TimTec1_006325 has 2 hydrogen bond donor(s) and 5 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 TimTec1_006325?
The CAS number of TimTec1_006325 is 1005262-72-5.
What is the molecular formula of TimTec1_006325?
The molecular formula of TimTec1_006325 is C22H21BrN2O3.
What is the molecular weight of TimTec1_006325?
The molecular weight of TimTec1_006325 is 440.07 g/mol.
Where can I buy TimTec1_006325?
You can request a quote for TimTec1_006325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_006325?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_006325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.