3-HMAABA
TL;DR: 3-HMAABA (CAS 146678-52-6) is a chemical compound with molecular formula C32H46Cl2N2O3 and molecular weight 576.2886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,10a,12a-trimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: 3-HMAABA, Sid 703693, 3-Hydroxy-N-methyl-17-aza-D-homoandrostan-17-one-4-N,N-bis(2-chloroethyl)aminophenylacetate, [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,10a,12a-trimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate, 17a-Aza-D-homoandrostan-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-17a-methyl-, (3-beta,5-alpha)-
Technical Specifications
| Molecular Formula | C32H46Cl2N2O3 |
| Molecular Weight | 576.2886 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 576.2886 Da |
| Heavy Atoms | 39 |
| Complexity | 873.0 |
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4C)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl |
| InChIKey | XPEARHKOPATKGH-YGZCPXDISA-N |
Chemical Property Profile of 3-HMAABA
Property Insights of 3-HMAABA
The XLogP value of 6.8 indicates that 3-HMAABA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 3-HMAABA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-HMAABA has 0 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-HMAABA?
The CAS number of 3-HMAABA is 146678-52-6.
What is the molecular formula of 3-HMAABA?
The molecular formula of 3-HMAABA is C32H46Cl2N2O3.
What is the molecular weight of 3-HMAABA?
The molecular weight of 3-HMAABA is 576.2886 g/mol.
Where can I buy 3-HMAABA?
You can request a quote for 3-HMAABA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-HMAABA?
Yes, CoreyChem provides custom synthesis services for 3-HMAABA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.