![2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide structure](/static/products/4032/40329-00-8.webp)
2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide
TL;DR: 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide (CAS 40329-00-8) is a chemical compound with molecular formula C30H38Cl2N2O2 and molecular weight 528.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(2-chloroethyl)amino]phenyl]-N-(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)acetamide
Also Known As: 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide, 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)acetamide, {4-[Bis(2-chloroethyl)amino]phenyl}-N-[3-hydroxyestra-1(10),2,4-trien-17-yl]ethanimidic acid, 2-{4-[Bis(2-chloroethyl)amino]phenyl}-N-[3-hydroxyestra-1(10),2,4-trien-17-yl]ethanimidic acid
| Molecular Formula | C30H38Cl2N2O2 |
|---|---|
| Molecular Weight | 528.23 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.231 |
| Heavy Atoms | 36 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 40329-00-8 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2NC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)O |
| InChIKey | NYHIYBJOBCXRTR-UHFFFAOYSA-N |
Product Overview
2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide (CAS 40329-00-8), with molecular formula C30H38Cl2N2O2 and molecular weight 528.23 g/mol. IUPAC: 2-[4-[bis(2-chloroethyl)amino]phenyl]-N-(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)acetamide.
Chemical Property Profile of 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide
Property Insights of 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide
The XLogP value of 6.9 indicates that 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide?
The CAS number of 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide is 40329-00-8.
What is the molecular formula of 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide?
The molecular formula of 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide is C30H38Cl2N2O2.
What is the molecular weight of 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide?
The molecular weight of 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide is 528.23 g/mol.
Where can I buy 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide?
You can request a quote for 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[bis(2-chloroethyl)amino]phenyl}-n-[3-hydroxyestra-1,3,5(10)-trien-17-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.