![4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one structure](/static/products/2100/21003-12-3.webp)
4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one
TL;DR: 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one (CAS 21003-12-3) is a chemical compound with molecular formula C23H31Cl2NO2 and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 4-[bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one, 4-[bis(2-chloroethyl)amino]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C23H31Cl2NO2 |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.1732 |
| Heavy Atoms | 28 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 21003-12-3 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4N(CCCl)CCCl)OC |
| InChIKey | IHBCVPDJINWIAD-UHFFFAOYSA-N |
Product Overview
4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one (CAS 21003-12-3), with molecular formula C23H31Cl2NO2 and molecular weight 423.17 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one
Property Insights of 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one
The XLogP value of 4.8 indicates that 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-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, 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one has 0 hydrogen bond donor(s) and 3 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 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one?
The CAS number of 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one is 21003-12-3.
What is the molecular formula of 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one?
The molecular formula of 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one is C23H31Cl2NO2.
What is the molecular weight of 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one?
The molecular weight of 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one is 423.17 g/mol.
Where can I buy 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one?
You can request a quote for 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-chloroethyl)amino]-3-methoxyestra-1,3,5(10)-trien-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.