3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate
TL;DR: 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate (CAS 146678-51-5) is a chemical compound with molecular formula C31H46Cl2N2O2 and molecular weight 548.29364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: 3-HAHAAP, Sid 703692, 3-Hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate, 17a-Aza-D-homoandrostan-3-ol, 4-(bis(2-chloroethyl)amino)benzeneacetate (ester), (3-beta,5-alpha)-, 3-beta-hydroxy-17a-aza-D-homo-5alpha-androstan-p-N,N-bis(2-chloroethyl)aminophenylacetate
Technical Specifications
| Molecular Formula | C31H46Cl2N2O2 |
| Molecular Weight | 548.29364 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 548.29364 Da |
| Heavy Atoms | 37 |
| Complexity | 768.0 |
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCCN4)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl |
| InChIKey | CPICDLRHHBTQBZ-ABKLYSGHSA-N |
Chemical Property Profile of 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate
Property Insights of 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate
The XLogP value of 7.3 indicates that 3-hydroxy-17-aza-D-homoandrostan-4-N,N-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 41.6 Ų, 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hydroxy-17-aza-D-homoandrostan-4-N,N-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 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate?
The CAS number of 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate is 146678-51-5.
What is the molecular formula of 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate?
The molecular formula of 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate is C31H46Cl2N2O2.
What is the molecular weight of 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate?
The molecular weight of 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate is 548.29364 g/mol.
Where can I buy 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate?
You can request a quote for 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate?
Yes, CoreyChem provides custom synthesis services for 3-hydroxy-17-aza-D-homoandrostan-4-N,N-bis(2-chloroethyl)aminophenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.