(3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one
TL;DR: (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one (CAS 147151-67-5) is a chemical compound with molecular formula C32H42Cl2N2O3 and molecular weight 572.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
Also Known As: (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one, 17a-Aza-D-homoandrost-5-en-17-one, 3-((3-(3-(bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-, (3-beta)-, 3beta-Hydroxy-13alpha-amino-13,17-seco-5-androsten-17-oic-13,17-lactam-m-N,N-bis(2-chloroethyl)aminocinnamate, (13S)-3beta-[[1-Oxo-3-[3-[bis(2-chloroethyl)amino]phenyl]2-propenyl]oxy]-13-amino-13,17-secoandrost-5-en-17-oic acid lactam, (3BETA)-3-[[3-[3-[BIS(2-CHLOROETHYL)AMINO]PHENYL]-1-OXO-2-PROPENYL]OXY]-17A-AZA-D-HOMOANDROST-5-EN-1 7-ONE
| Molecular Formula | C32H42Cl2N2O3 |
|---|---|
| Molecular Weight | 572.26 g/mol |
| LogP | 6.727 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 572.25726 |
| Heavy Atoms | 39 |
| Complexity | 1130.1658 |
Chemical Identifiers
| CAS Number | 147151-67-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CC[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
(3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one (CAS 147151-67-5), with molecular formula C32H42Cl2N2O3 and molecular weight 572.26 g/mol. IUPAC: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate.
Chemical Property Profile of (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one
Property Insights of (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one
The XLogP value of 6.727 indicates that (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-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, (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-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 (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
The CAS number of (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one is 147151-67-5.
What is the molecular formula of (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
The molecular formula of (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one is C32H42Cl2N2O3.
What is the molecular weight of (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
The molecular weight of (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one is 572.26 g/mol.
Where can I buy (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
You can request a quote for (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
Yes, KEHONG BIO provides custom synthesis services for (3beta)-3-((3-(3-(Bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-17a-aza-D-homoandrost-5-en-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.