3,3-Difluorochlorambucil
TL;DR: 3,3-Difluorochlorambucil (CAS 103638-41-1) is a chemical compound with molecular formula C14H17Cl2F2NO2 and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[bis(2-chloroethyl)amino]phenyl]-3,3-difluorobutanoic acid
Also Known As: 3,3-Difluorochlorambucil, beta,beta-Difluorochlorambucil, CB 7103, SID:125241000, 4-[4-[bis(2-chloroethyl)amino]phenyl]-3,3-difluorobutanoic acid
| Molecular Formula | C14H17Cl2F2NO2 |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 339.06046 |
| Heavy Atoms | 21 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 103638-41-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CC(=O)O)(F)F)N(CCCl)CCCl |
| InChIKey | BUEVKJMGAZEULE-UHFFFAOYSA-N |
Product Overview
3,3-Difluorochlorambucil (CAS 103638-41-1), with molecular formula C14H17Cl2F2NO2 and molecular weight 339.06 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]phenyl]-3,3-difluorobutanoic acid.
Chemical Property Profile of 3,3-Difluorochlorambucil
Property Insights of 3,3-Difluorochlorambucil
The XLogP value of 3.7 indicates that 3,3-Difluorochlorambucil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3,3-Difluorochlorambucil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Difluorochlorambucil has 1 hydrogen bond donor(s) and 5 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 3,3-Difluorochlorambucil?
The CAS number of 3,3-Difluorochlorambucil is 103638-41-1.
What is the molecular formula of 3,3-Difluorochlorambucil?
The molecular formula of 3,3-Difluorochlorambucil is C14H17Cl2F2NO2.
What is the molecular weight of 3,3-Difluorochlorambucil?
The molecular weight of 3,3-Difluorochlorambucil is 339.06 g/mol.
Where can I buy 3,3-Difluorochlorambucil?
You can request a quote for 3,3-Difluorochlorambucil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Difluorochlorambucil?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Difluorochlorambucil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.