3-amino-4-propylamino-benzonitrile
TL;DR: 3-amino-4-propylamino-benzonitrile (CAS 355025-13-7) is a chemical compound with molecular formula C24H25ClN2O5S and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoate
Also Known As: 3-amino-4-propylamino-benzonitrile, EX-A3648, 2495AH, Ki16198?, s2906
| Molecular Formula | C24H25ClN2O5S |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 6.40942 |
| Topological Polar Surface Area | 90.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.11728 |
| Heavy Atoms | 33 |
| Complexity | 1100.489 |
Chemical Identifiers
| CAS Number | 355025-13-7 |
|---|---|
| SMILES | CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)CSCCC(=O)OC |
Product Overview
3-amino-4-propylamino-benzonitrile (CAS 355025-13-7), with molecular formula C24H25ClN2O5S and molecular weight 488.12 g/mol. IUPAC: methyl 3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoate.
Chemical Property Profile of 3-amino-4-propylamino-benzonitrile
Property Insights of 3-amino-4-propylamino-benzonitrile
The XLogP value of 6.40942 indicates that 3-amino-4-propylamino-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-4-propylamino-benzonitrile. Following Lipinski's Rule of Five, 3-amino-4-propylamino-benzonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-amino-4-propylamino-benzonitrile?
The CAS number of 3-amino-4-propylamino-benzonitrile is 355025-13-7.
What is the molecular formula of 3-amino-4-propylamino-benzonitrile?
The molecular formula of 3-amino-4-propylamino-benzonitrile is C24H25ClN2O5S.
What is the molecular weight of 3-amino-4-propylamino-benzonitrile?
The molecular weight of 3-amino-4-propylamino-benzonitrile is 488.12 g/mol.
Where can I buy 3-amino-4-propylamino-benzonitrile?
You can request a quote for 3-amino-4-propylamino-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-4-propylamino-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-4-propylamino-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.