D05WHD
TL;DR: D05WHD (CAS 168046-41-1) is a chemical compound with molecular formula C37H37N5O4 and molecular weight 615.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-N-[4-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]phenyl]benzamide
Also Known As: J1.087.393B, 1-[2-Oxo-2-(4-methylpiperazino)ethyl]-5-[4-(4 -methyl-2-biphenylylcarbonylamino)benzoyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-one, 4'-methyl-N-(4-{5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbonyl}phenyl)-[1,1'-biphenyl]-2-carboxamide, 5-{4-[2-(4-methylphenyl)benzoylamino]benzoyl}-1-(4-methyl-1-piperazinylcarbonyl)methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2(2H)-one, 5-{4-[2-(4-methylphenyl)benzoylamino]benzoyl}-1-[(4-methyl-1-piperazinyl)carbonylmethyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2(2H)-one
| Molecular Formula | C37H37N5O4 |
|---|---|
| Molecular Weight | 615.28 g/mol |
| LogP | 5.07182 |
| Topological Polar Surface Area | 93.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 615.28455 |
| Heavy Atoms | 46 |
| Complexity | 1761.5016 |
Chemical Identifiers
| CAS Number | 168046-41-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4CCC(=O)N(C5=CC=CC=C54)CC(=O)N6CCN(CC6)C |
Product Overview
D05WHD (CAS 168046-41-1), with molecular formula C37H37N5O4 and molecular weight 615.28 g/mol. IUPAC: 2-(4-methylphenyl)-N-[4-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]phenyl]benzamide.
Chemical Property Profile of D05WHD
Property Insights of D05WHD
The XLogP value of 5.07182 indicates that D05WHD is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.27 Ų falls within the moderate polarity range, balancing permeability and solubility for D05WHD. Following Lipinski's Rule of Five, D05WHD 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 D05WHD?
The CAS number of D05WHD is 168046-41-1.
What is the molecular formula of D05WHD?
The molecular formula of D05WHD is C37H37N5O4.
What is the molecular weight of D05WHD?
The molecular weight of D05WHD is 615.28 g/mol.
Where can I buy D05WHD?
You can request a quote for D05WHD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D05WHD?
Yes, KEHONG BIO provides custom synthesis services for D05WHD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.