Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino-
TL;DR: Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- (CAS 33068-77-8) is a chemical compound with molecular formula C23H35Cl2NO and molecular weight 411.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17S)-17-[bis(2-chloroethyl)amino]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 17-beta-Bis(2-chloroethyl)aminoandrost-4-en-3-one, 2-Deoxy-D-glucose 6-phosphate sodium salt, ANDROST-4-EN-3-ONE, 17-beta-BIS(2-CHLOROETHYL)AMINO-, 17beta-[Bis(2-chloroethyl)amino]androst-4-en-3-one, 17-[Bis(2-chloroethyl)amino]androst-4-en-3-one
| Molecular Formula | C23H35Cl2NO |
|---|---|
| Molecular Weight | 411.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.20956 |
| Heavy Atoms | 27 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 33068-77-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N(CCCl)CCCl)CCC4=CC(=O)CC[C@]34C |
| InChIKey | MUDUBLGOHBPCKH-LLINQDLYSA-N |
Product Overview
Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- (CAS 33068-77-8), with molecular formula C23H35Cl2NO and molecular weight 411.21 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-17-[bis(2-chloroethyl)amino]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino-
Property Insights of Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino-
The XLogP value of 5.2 indicates that Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino-?
The CAS number of Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- is 33068-77-8.
What is the molecular formula of Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino-?
The molecular formula of Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- is C23H35Cl2NO.
What is the molecular weight of Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino-?
The molecular weight of Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- is 411.21 g/mol.
Where can I buy Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino-?
You can request a quote for Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino-?
Yes, KEHONG BIO provides custom synthesis services for Androst-4-en-3-one, 17-beta-bis(2-chloroethyl)amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.