3,4-Dehydrochlorambucil
TL;DR: 3,4-Dehydrochlorambucil (CAS 73027-06-2) is a chemical compound with molecular formula C14H17Cl2NO2 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid
Also Known As: 3,4-Dehydrochlorambucil, 3,4-Dehydro Chlorambucil, 3,4-Deshydrochlorambucil, (E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid, (E)-4-[4-[Bis(2-chloroethyl)amino]phenyl]-3-butenoic Acid
| Molecular Formula | C14H17Cl2NO2 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 3.4585 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.06363 |
| Heavy Atoms | 19 |
| Complexity | 411.95908 |
Chemical Identifiers
| CAS Number | 73027-06-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/CC(=O)O)N(CCCl)CCCl |
Product Overview
3,4-Dehydrochlorambucil (CAS 73027-06-2), with molecular formula C14H17Cl2NO2 and molecular weight 301.06 g/mol. IUPAC: (E)-4-[4-[bis(2-chloroethyl)amino]phenyl]but-3-enoic acid.
Chemical Property Profile of 3,4-Dehydrochlorambucil
Property Insights of 3,4-Dehydrochlorambucil
The XLogP value of 3.4585 indicates that 3,4-Dehydrochlorambucil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 3,4-Dehydrochlorambucil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dehydrochlorambucil has 1 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 3,4-Dehydrochlorambucil?
The CAS number of 3,4-Dehydrochlorambucil is 73027-06-2.
What is the molecular formula of 3,4-Dehydrochlorambucil?
The molecular formula of 3,4-Dehydrochlorambucil is C14H17Cl2NO2.
What is the molecular weight of 3,4-Dehydrochlorambucil?
The molecular weight of 3,4-Dehydrochlorambucil is 301.06 g/mol.
Where can I buy 3,4-Dehydrochlorambucil?
You can request a quote for 3,4-Dehydrochlorambucil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dehydrochlorambucil?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dehydrochlorambucil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.