BIIB-513 free base
TL;DR: BIIB-513 free base (CAS 265986-97-8) is a chemical compound with molecular formula C18H21N5O5S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(diaminomethylidene)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylsulfonylbenzamide
Also Known As: BIIB-513 free base, Biib 513, J1.330.855A, Benzamide, N-(aminoiminomethyl)-4-(4-(2-furanylcarbonyl)-1-piperazinyl)-3-(methylsulfonyl)-, N-(Aminoiminomethyl)-4-[4-(2-furanylcarbonyl)-1-piperazinyl]-3-(methylsulfonyl)benzamide
| Molecular Formula | C18H21N5O5S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 0.0591 |
| Topological Polar Surface Area | 152.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.12634 |
| Heavy Atoms | 29 |
| Complexity | 1050.3159 |
Chemical Identifiers
| CAS Number | 265986-97-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCN(CC2)C(=O)C3=CC=CO3 |
Product Overview
BIIB-513 free base (CAS 265986-97-8), with molecular formula C18H21N5O5S and molecular weight 419.13 g/mol. IUPAC: N-(diaminomethylidene)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylsulfonylbenzamide.
Chemical Property Profile of BIIB-513 free base
Property Insights of BIIB-513 free base
The XLogP value of 0.0591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIIB-513 free base. The TPSA of 152.3 Ų indicates high polarity, suggesting BIIB-513 free base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIIB-513 free base has 2 hydrogen bond donor(s) and 6 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 BIIB-513 free base?
The CAS number of BIIB-513 free base is 265986-97-8.
What is the molecular formula of BIIB-513 free base?
The molecular formula of BIIB-513 free base is C18H21N5O5S.
What is the molecular weight of BIIB-513 free base?
The molecular weight of BIIB-513 free base is 419.13 g/mol.
Where can I buy BIIB-513 free base?
You can request a quote for BIIB-513 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIIB-513 free base?
Yes, KEHONG BIO provides custom synthesis services for BIIB-513 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.