UPCMLD0ENAT5507499:001
TL;DR: UPCMLD0ENAT5507499:001 (CAS 313650-46-3) is a chemical compound with molecular formula C25H22BrClN2O5 and molecular weight 544.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-5-(2-chlorophenyl)-4-(3,4,5-trimethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: UPCMLD0ENAT5507499:001, BAS 00462482, 7-bromo-5-(2-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)carbonyl]-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-4-(3,4,5-trimethoxybenzoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, 7-BROMO-5-(2-CHLOROPHENYL)-4-(3,4,5-TRIMETHOXYBENZOYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-2-ONE
| Molecular Formula | C25H22BrClN2O5 |
|---|---|
| Molecular Weight | 544.04 g/mol |
| LogP | 5.3122 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.04004 |
| Heavy Atoms | 34 |
| Complexity | 1240.7986 |
Chemical Identifiers
| CAS Number | 313650-46-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4Cl)C=C(C=C3)Br |
Product Overview
UPCMLD0ENAT5507499:001 (CAS 313650-46-3), with molecular formula C25H22BrClN2O5 and molecular weight 544.04 g/mol. IUPAC: 7-bromo-5-(2-chlorophenyl)-4-(3,4,5-trimethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of UPCMLD0ENAT5507499:001
Property Insights of UPCMLD0ENAT5507499:001
The XLogP value of 5.3122 indicates that UPCMLD0ENAT5507499:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5507499:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5507499:001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5507499:001?
The CAS number of UPCMLD0ENAT5507499:001 is 313650-46-3.
What is the molecular formula of UPCMLD0ENAT5507499:001?
The molecular formula of UPCMLD0ENAT5507499:001 is C25H22BrClN2O5.
What is the molecular weight of UPCMLD0ENAT5507499:001?
The molecular weight of UPCMLD0ENAT5507499:001 is 544.04 g/mol.
Where can I buy UPCMLD0ENAT5507499:001?
You can request a quote for UPCMLD0ENAT5507499:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5507499:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5507499:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.