![N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox structure](/static/products/6080/60807-08-1.webp)
N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox
TL;DR: N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox (CAS 60807-08-1) is a chemical compound with molecular formula C26H38Cl2N4O5 and molecular weight 556.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
Also Known As: N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox, N'-(4-{4-[Bis(2-chloroethyl)amino]phenyl}butanoyl)-9a-hydroxy-3-oxo-2-(propan-2-yl)octahydro[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide, N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide, Oxazolo[3, octahydro-9a-hydroxy-2-(1-methylethyl)-3-oxo-, 2-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]hydrazide, Oxazolo[3,2-a]azepine-2-carboxylic acid, octahydro-9a-hydroxy-2-(1-methylethyl)-3-oxo-, 2-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]hydrazide
| Molecular Formula | C26H38Cl2N4O5 |
|---|---|
| Molecular Weight | 556.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 556.2219 |
| Heavy Atoms | 37 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 60807-08-1 |
|---|---|
| SMILES | CC(C)C1(C(=O)N2CCCCCC2(O1)O)C(=O)NNC(=O)CCCC3=CC=C(C=C3)N(CCCl)CCCl |
| InChIKey | LHMAOGJRVUBHGZ-UHFFFAOYSA-N |
Product Overview
N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox (CAS 60807-08-1), with molecular formula C26H38Cl2N4O5 and molecular weight 556.22 g/mol. IUPAC: N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide.
Chemical Property Profile of N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox
Property Insights of N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox
The XLogP value of 4.3 indicates that N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox. Following Lipinski's Rule of Five, N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox?
The CAS number of N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox is 60807-08-1.
What is the molecular formula of N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox?
The molecular formula of N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox is C26H38Cl2N4O5.
What is the molecular weight of N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox?
The molecular weight of N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox is 556.22 g/mol.
Where can I buy N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox?
You can request a quote for N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox?
Yes, KEHONG BIO provides custom synthesis services for N'-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyl]-9a-hydrox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.