(3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one
TL;DR: (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one (CAS 147151-61-9) is a chemical compound with molecular formula C32H44Cl2N2O3 and molecular weight 574.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
Also Known As: (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one, 17a-Aza-D-homoandrostan-17-one, 3-((3-(3-(bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-, (3-alpha,5-alpha)-, 3alpha-Hydroxy-13alpha-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam-m-N,N-bis(2-chloroethyl)aminocinnamate, 2-Propenoic acid, 3-(3-(bis(2-chloroethyl)amino)phenyl)-,octadecahydro-10a,12a-dimethyl-2-oxonaphtho(2,1-f)quinolin-8-yl ester, (4aS-(4aalpha,4bbeta,6aalpha,8alpha,10abeta,10balpha,12abeta))-, (13S)-3alpha-[[1-Oxo-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-propenyl]oxy]-13-amino-13,17-seco-5alpha-androstan-17-oic acid lactam
| Molecular Formula | C32H44Cl2N2O3 |
|---|---|
| Molecular Weight | 574.27 g/mol |
| LogP | 6.8069 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 574.2729 |
| Heavy Atoms | 39 |
| Complexity | 1073.2488 |
Chemical Identifiers
| CAS Number | 147151-61-9 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)/C=C/C5=CC(=CC=C5)N(CCCl)CCCl |
Product Overview
(3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one (CAS 147151-61-9), with molecular formula C32H44Cl2N2O3 and molecular weight 574.27 g/mol. IUPAC: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate.
Chemical Property Profile of (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one
Property Insights of (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one
The XLogP value of 6.8069 indicates that (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one has 1 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 (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one?
The CAS number of (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one is 147151-61-9.
What is the molecular formula of (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one?
The molecular formula of (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one is C32H44Cl2N2O3.
What is the molecular weight of (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one?
The molecular weight of (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one is 574.27 g/mol.
Where can I buy (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one?
You can request a quote for (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,5alpha)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrostan-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.