CL 385004
TL;DR: CL 385004 (CAS 180416-31-3) is a chemical compound with molecular formula C26H21FN4O2 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
Also Known As: CL 385004, CL 385,004, CL-385,004, J1.117.923A, Benzamide, 5-fluoro-2-methyl-N-(5-(5H-pyrrolo(2,1-C)(1,4)benzodiazepin-10(11H)-ylcarbonyl)-2-pyridinyl)-
| Molecular Formula | C26H21FN4O2 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 4.79162 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.16486 |
| Heavy Atoms | 33 |
| Complexity | 1360.9818 |
Chemical Identifiers
| CAS Number | 180416-31-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)C(=O)NC2=NC=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53 |
Product Overview
CL 385004 (CAS 180416-31-3), with molecular formula C26H21FN4O2 and molecular weight 440.16 g/mol. IUPAC: N-[5-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide.
Chemical Property Profile of CL 385004
Property Insights of CL 385004
The XLogP value of 4.79162 indicates that CL 385004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for CL 385004. Following Lipinski's Rule of Five, CL 385004 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 CL 385004?
The CAS number of CL 385004 is 180416-31-3.
What is the molecular formula of CL 385004?
The molecular formula of CL 385004 is C26H21FN4O2.
What is the molecular weight of CL 385004?
The molecular weight of CL 385004 is 440.16 g/mol.
Where can I buy CL 385004?
You can request a quote for CL 385004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CL 385004?
Yes, KEHONG BIO provides custom synthesis services for CL 385004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.