A3638/0154402
TL;DR: A3638/0154402 (CAS 1008035-70-8) is a chemical compound with molecular formula C13H13ClFN3O2 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-4-fluoroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
Also Known As: A3638/0154402, 2-[(3-chloro-4-fluoroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione, 2-[(3-CHLORO-4-FLUOROANILINO)METHYL]TETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOLE-1,3(2H)-DIONE, 2-{[(3-chloro-4-fluorophenyl)amino]methyl}-2,5,6,7,7a-pentahydro-2-azapyrroliz ine-1,3-dione, 2-{[(3-chloro-4-fluorophenyl)amino]methyl}tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione
| Molecular Formula | C13H13ClFN3O2 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.2751 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.06802 |
| Heavy Atoms | 20 |
| Complexity | 558.73474 |
Chemical Identifiers
| CAS Number | 1008035-70-8 |
|---|---|
| SMILES | C1CC2C(=O)N(C(=O)N2C1)CNC3=CC(=C(C=C3)F)Cl |
Product Overview
A3638/0154402 (CAS 1008035-70-8), with molecular formula C13H13ClFN3O2 and molecular weight 297.07 g/mol. IUPAC: 2-[(3-chloro-4-fluoroanilino)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
Chemical Property Profile of A3638/0154402
Property Insights of A3638/0154402
The XLogP value of 2.2751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3638/0154402. With a topological polar surface area (TPSA) of 52.65 Ų, A3638/0154402 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3638/0154402 has 1 hydrogen bond donor(s) and 3 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 A3638/0154402?
The CAS number of A3638/0154402 is 1008035-70-8.
What is the molecular formula of A3638/0154402?
The molecular formula of A3638/0154402 is C13H13ClFN3O2.
What is the molecular weight of A3638/0154402?
The molecular weight of A3638/0154402 is 297.07 g/mol.
Where can I buy A3638/0154402?
You can request a quote for A3638/0154402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3638/0154402?
Yes, KEHONG BIO provides custom synthesis services for A3638/0154402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.