3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one
TL;DR: 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one (CAS 163162-28-5) is a chemical compound with molecular formula C31H42Cl2N2O3 and molecular weight 560.25726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(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] 4-[bis(2-chloroethyl)amino]-3-methylbenzoate
Also Known As: 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one, 17a-Aza-D-homoandrost-5-en-17-one, 3-((4-(bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-, (3-beta)-, (4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-1H,2H,3H,4H,4aH,4bH,5H,7H,8H,9H,10H,10aH,10bH,11H,12H,12aH-naphtho[2,1-f]quinolin-8-yl 4-[bis(2-chloroethyl)amino]-3-methylbenzoate, (4aS,4bR,8S,10aR,10bS,12aS)-2-Hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]quinolin-8-yl 4-[bis(2-chloroethyl)amino]-3-methylbenzoate, [(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] 4-[bis(2-chloroethyl)amino]-3-methylbenzoate
Technical Specifications
| Molecular Formula | C31H42Cl2N2O3 |
| Molecular Weight | 560.25726 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 560.25726 Da |
| Heavy Atoms | 38 |
| Complexity | 921.0 |
| SMILES | CC1=C(C=CC(=C1)C(=O)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CCC(=O)N5)C)C)N(CCCl)CCCl |
| InChIKey | KGMZMNXZBWASRO-HWCIOBCZSA-N |
Chemical Property Profile of 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one
Property Insights of 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one
The XLogP value of 6.2 indicates that 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)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 58.6 Ų, 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)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, 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)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
What is the CAS number of 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
The CAS number of 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one is 163162-28-5.
What is the molecular formula of 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
The molecular formula of 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one is C31H42Cl2N2O3.
What is the molecular weight of 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
The molecular weight of 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one is 560.25726 g/mol.
Where can I buy 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
You can request a quote for 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one?
Yes, CoreyChem provides custom synthesis services for 3-((4-(Bis(2-chloroethyl)amino)-3-methylbenzoyl)oxy)-17a-aza-D-homoandrost-5-en-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.