N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide
TL;DR: N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide (CAS 69966-70-7) is a chemical compound with molecular formula C22H23Cl2NO4 and molecular weight 435.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide
Also Known As: N,3,6-TRIMETHOXY-9-PHENANTHRENECARBOXAMIDE, N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide, N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carbox, 9-Phenanthrenecarboxamide,n,n-bis(2-chloroethyl)-2,3,6-trimethoxy-
| Molecular Formula | C22H23Cl2NO4 |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.1004 |
| Heavy Atoms | 29 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 69966-70-7 |
|---|---|
| SMILES | COC1=CC2=C3C=C(C(=CC3=CC(=C2C=C1)C(=O)N(CCCl)CCCl)OC)OC |
| InChIKey | GTPNZQJVMQFLJN-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide (CAS 69966-70-7), with molecular formula C22H23Cl2NO4 and molecular weight 435.10 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide.
Chemical Property Profile of N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide
Property Insights of N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide
The XLogP value of 5.0 indicates that N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide has 0 hydrogen bond donor(s) and 4 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,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide?
The CAS number of N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide is 69966-70-7.
What is the molecular formula of N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide?
The molecular formula of N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide is C22H23Cl2NO4.
What is the molecular weight of N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide?
The molecular weight of N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide is 435.10 g/mol.
Where can I buy N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide?
You can request a quote for N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-chloroethyl)-2,3,6-trimethoxyphenanthrene-9-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.