N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one
TL;DR: N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one (CAS 13105-54-9) is a chemical compound with molecular formula C19H24ClNO2 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,4bR,10bS,12aS)-2-chloro-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]isoquinolin-1-one
Also Known As: Cmaheo, KST-1A1055, N-Chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one, (4as,4br,10bs,12as)-2-chloro-8-methoxy-12a-methyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydronaphtho[2,1-f]isoquinolin-1(2h)-one, N-chloro-3-methoxy-17-aza-D-homo-1,3,5(10)-estratrien-17a-one
| Molecular Formula | C19H24ClNO2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.14957 |
| Heavy Atoms | 23 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 13105-54-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCN(C2=O)Cl)CCC4=C3C=CC(=C4)OC |
| InChIKey | IFCLUGMVWHEXEM-VXNCWWDNSA-N |
Product Overview
N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one (CAS 13105-54-9), with molecular formula C19H24ClNO2 and molecular weight 333.15 g/mol. IUPAC: (4aS,4bR,10bS,12aS)-2-chloro-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]isoquinolin-1-one.
Chemical Property Profile of N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one
Property Insights of N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one
The XLogP value of 4.3 indicates that N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one?
The CAS number of N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one is 13105-54-9.
What is the molecular formula of N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one?
The molecular formula of N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one is C19H24ClNO2.
What is the molecular weight of N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one?
The molecular weight of N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one is 333.15 g/mol.
Where can I buy N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one?
You can request a quote for N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one?
Yes, KEHONG BIO provides custom synthesis services for N-chloro-3-methoxy-17-aza-homo-1,3,5(10)-estratrien-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.