4-Guanidinobenzoyl chloride
TL;DR: 4-Guanidinobenzoyl chloride (CAS 60131-35-3) is a chemical compound with molecular formula C8H8ClN3O and molecular weight 197.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diaminomethylideneamino)benzoyl chloride
Also Known As: 4-guanidinobenzoyl chloride, p-guanidinobenzoic acid chloride, 4-(diaminomethylideneamino)benzoyl Chloride, 4-(hydrazinylmethylideneamino)benzoyl chloride
| Molecular Formula | C8H8ClN3O |
|---|---|
| Molecular Weight | 197.04 g/mol |
| LogP | 0.9705 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03558 |
| Heavy Atoms | 13 |
| Complexity | 340.9117 |
Chemical Identifiers
| CAS Number | 60131-35-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)Cl)N=C(N)N |
Product Overview
4-Guanidinobenzoyl chloride (CAS 60131-35-3), with molecular formula C8H8ClN3O and molecular weight 197.04 g/mol. IUPAC: 4-(diaminomethylideneamino)benzoyl chloride.
Chemical Property Profile of 4-Guanidinobenzoyl chloride
Property Insights of 4-Guanidinobenzoyl chloride
The XLogP value of 0.9705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Guanidinobenzoyl chloride. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Guanidinobenzoyl chloride. Following Lipinski's Rule of Five, 4-Guanidinobenzoyl chloride has 2 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 4-Guanidinobenzoyl chloride?
The CAS number of 4-Guanidinobenzoyl chloride is 60131-35-3.
What is the molecular formula of 4-Guanidinobenzoyl chloride?
The molecular formula of 4-Guanidinobenzoyl chloride is C8H8ClN3O.
What is the molecular weight of 4-Guanidinobenzoyl chloride?
The molecular weight of 4-Guanidinobenzoyl chloride is 197.04 g/mol.
Where can I buy 4-Guanidinobenzoyl chloride?
You can request a quote for 4-Guanidinobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Guanidinobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Guanidinobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.