![3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide structure](/static/products/2296/22964-49-4.webp)
3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide
TL;DR: 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide (CAS 22964-49-4) is a chemical compound with molecular formula C30H35Cl2NO3 and molecular weight 527.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide, 17-oxoestra-1,3,5(10)-trien-3-yl{4-[bis(2-chloroethyl)amino]phenyl}acetate, (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate, 17-Oxoestra-1(10),2,4-trien-3-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate, 13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl 2-(4-(bis(2-chloroethyl)amino)phenyl)acetate
| Molecular Formula | C30H35Cl2NO3 |
|---|---|
| Molecular Weight | 527.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.1994 |
| Heavy Atoms | 36 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 22964-49-4 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl |
| InChIKey | SFOHURGDKAWENM-UHFFFAOYSA-N |
Product Overview
3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide (CAS 22964-49-4), with molecular formula C30H35Cl2NO3 and molecular weight 527.20 g/mol. IUPAC: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate.
Chemical Property Profile of 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide
Property Insights of 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide
The XLogP value of 6.1 indicates that 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide has 0 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 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide?
The CAS number of 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide is 22964-49-4.
What is the molecular formula of 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide?
The molecular formula of 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide is C30H35Cl2NO3.
What is the molecular weight of 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide?
The molecular weight of 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide is 527.20 g/mol.
Where can I buy 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide?
You can request a quote for 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide?
Yes, KEHONG BIO provides custom synthesis services for 3'-[Bis[2-[(methylsulfonyl)oxy]ethyl]amino]acetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.