5-氨基环己-1,3-二烯甲酸
TL;DR: 5-氨基环己-1,3-二烯甲酸 (CAS 87980-11-8) is a chemical compound with molecular formula C13H10FNO4S and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氨基环己-1,3-二烯甲酸
phenyl N-(4-fluorosulfonylphenyl)carbamate
Also Known As: starbld0019574, Phenyl (4-(fluorosulfonyl)phenyl)carbamate, N-Carbophenoxy-sulfanilylfluorid, phenyl[4-(fluorosulfonyl)phenyl]carbamate, Phenyl [4-(fluorosulfonyl)phenyl]carbamate
| Molecular Formula | C13H10FNO4S |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.03146 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 87980-11-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)S(=O)(=O)F |
| InChIKey | FMLLPQGRQRAMCN-UHFFFAOYSA-N |
Product Overview
5-氨基环己-1,3-二烯甲酸 (CAS 87980-11-8), with molecular formula C13H10FNO4S and molecular weight 295.03 g/mol. IUPAC: phenyl N-(4-fluorosulfonylphenyl)carbamate.
Chemical Property Profile of 5-氨基环己-1,3-二烯甲酸
Property Insights of 5-氨基环己-1,3-二烯甲酸
The XLogP value of 3.1 indicates that 5-氨基环己-1,3-二烯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氨基环己-1,3-二烯甲酸. Following Lipinski's Rule of Five, 5-氨基环己-1,3-二烯甲酸 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 5-氨基环己-1,3-二烯甲酸?
The CAS number of 5-氨基环己-1,3-二烯甲酸 is 87980-11-8.
What is the molecular formula of 5-氨基环己-1,3-二烯甲酸?
The molecular formula of 5-氨基环己-1,3-二烯甲酸 is C13H10FNO4S.
What is the molecular weight of 5-氨基环己-1,3-二烯甲酸?
The molecular weight of 5-氨基环己-1,3-二烯甲酸 is 295.03 g/mol.
Where can I buy 5-氨基环己-1,3-二烯甲酸?
You can request a quote for 5-氨基环己-1,3-二烯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氨基环己-1,3-二烯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基环己-1,3-二烯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.