![[[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea structure](/static/products/6630/6630-56-4.webp)
[[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea
TL;DR: [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea (CAS 6630-56-4) is a chemical compound with molecular formula C13H18ClN3O3 and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-(4-chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea
Also Known As: NCIOpen2_002622, [[4-(4-chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea, [(Z)-[4-(4-chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino], 2-[4-(4-chlorophenyl)-1,1-dimethoxybutan-2-ylidene]hydrazinecarboxamide
| Molecular Formula | C13H18ClN3O3 |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.10367 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 6630-56-4 |
|---|---|
| SMILES | COC(C(=NNC(=O)N)CCC1=CC=C(C=C1)Cl)OC |
| InChIKey | LMTPRINNQMVGJY-UHFFFAOYSA-N |
Product Overview
[[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea (CAS 6630-56-4), with molecular formula C13H18ClN3O3 and molecular weight 299.10 g/mol. IUPAC: [[4-(4-chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea.
Chemical Property Profile of [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea
Property Insights of [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea. Following Lipinski's Rule of Five, [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea has 2 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 [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea?
The CAS number of [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea is 6630-56-4.
What is the molecular formula of [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea?
The molecular formula of [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea is C13H18ClN3O3.
What is the molecular weight of [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea?
The molecular weight of [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea is 299.10 g/mol.
Where can I buy [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea?
You can request a quote for [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea?
Yes, KEHONG BIO provides custom synthesis services for [[4-(4-Chlorophenyl)-1,1-dimethoxybutan-2-ylidene]amino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.