ChemDiv3_005551
TL;DR: ChemDiv3_005551 (CAS 524056-99-3) is a chemical compound with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
Also Known As: ChemDiv3_005551, IDI1_023461, BRD-A33108704-001-01-6, A3421/0145169, 3-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one
| Molecular Formula | C17H13N3OS2 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 4.5017 |
| Topological Polar Surface Area | 54.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.05002 |
| Heavy Atoms | 23 |
| Complexity | 899.243 |
Chemical Identifiers
| CAS Number | 524056-99-3 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2NC(=O)C1SC3=NC4=CC=CC=C4S3 |
Product Overview
ChemDiv3_005551 (CAS 524056-99-3), with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one.
Chemical Property Profile of ChemDiv3_005551
Property Insights of ChemDiv3_005551
The XLogP value of 4.5017 indicates that ChemDiv3_005551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.35 Ų, ChemDiv3_005551 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005551 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 ChemDiv3_005551?
The CAS number of ChemDiv3_005551 is 524056-99-3.
What is the molecular formula of ChemDiv3_005551?
The molecular formula of ChemDiv3_005551 is C17H13N3OS2.
What is the molecular weight of ChemDiv3_005551?
The molecular weight of ChemDiv3_005551 is 339.05 g/mol.
Where can I buy ChemDiv3_005551?
You can request a quote for ChemDiv3_005551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005551?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.