17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate
TL;DR: 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate (CAS 110320-70-2) is a chemical compound with molecular formula C33H48Cl2N2O3 and molecular weight 590.3042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5S,10S,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: Aaceap, 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate, [(3S,5S,10S,13S,17S)-17-acetamido-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate, (3beta,5alpha,17beta)-17-(Acetylamino)androstan-3-yl 4-(bis(2-chloroethyl)amino)benzeneacetate, N-{3-[({4-[Bis(2-chloroethyl)amino]phenyl}acetyl)oxy]androstan-17-yl}ethanimidic acid
Technical Specifications
| Molecular Formula | C33H48Cl2N2O3 |
| Molecular Weight | 590.3042 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 590.3042 Da |
| Heavy Atoms | 40 |
| Complexity | 889.0 |
| SMILES | CC(=O)N[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C |
| InChIKey | BLLAWDFADRSHFN-IYYPERTOSA-N |
Chemical Property Profile of 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate
Property Insights of 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate
The XLogP value of 7.6 indicates that 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
The CAS number of 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate is 110320-70-2.
What is the molecular formula of 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
The molecular formula of 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate is C33H48Cl2N2O3.
What is the molecular weight of 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
The molecular weight of 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate is 590.3042 g/mol.
Where can I buy 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
You can request a quote for 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate?
Yes, CoreyChem provides custom synthesis services for 17-Acetamido-5-androstan-3-ol-4-bis(2-chloroethyl)aminophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.