3-异硫氰酸根合-1,5-萘二磺酸
TL;DR: 3-异硫氰酸根合-1,5-萘二磺酸 (CAS 74220-99-8) is a chemical compound with molecular formula C11H7NO6S3 and molecular weight 344.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-异硫氰酸根合-1,5-萘二磺酸
3-isothiocyanatonaphthalene-1,5-disulfonic acid
Also Known As: 3-isothiocyanatonaphthalene-1,5-disulfonic Acid, 1,5-Naphthalenedisulfonicacid, 3-isothiocyanato-, 3-isothiocyano-1,5-naphthalenedisulfonic acid, RefChem:221417
| Molecular Formula | C11H7NO6S3 |
|---|---|
| Molecular Weight | 344.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.94354 |
| Heavy Atoms | 21 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 74220-99-8 |
|---|---|
| SMILES | C1=CC2=C(C=C(C=C2S(=O)(=O)O)N=C=S)C(=C1)S(=O)(=O)O |
| InChIKey | VBNBCMZEYBETOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-异硫氰酸根合-1,5-萘二磺酸 (CAS 74220-99-8), with molecular formula C11H7NO6S3 and molecular weight 344.94 g/mol. IUPAC: 3-isothiocyanatonaphthalene-1,5-disulfonic acid.
Chemical Property Profile of 3-异硫氰酸根合-1,5-萘二磺酸
Property Insights of 3-异硫氰酸根合-1,5-萘二磺酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-异硫氰酸根合-1,5-萘二磺酸. The TPSA of 170.0 Ų indicates high polarity, suggesting 3-异硫氰酸根合-1,5-萘二磺酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-异硫氰酸根合-1,5-萘二磺酸 has 2 hydrogen bond donor(s) and 8 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 3-异硫氰酸根合-1,5-萘二磺酸?
The CAS number of 3-异硫氰酸根合-1,5-萘二磺酸 is 74220-99-8.
What is the molecular formula of 3-异硫氰酸根合-1,5-萘二磺酸?
The molecular formula of 3-异硫氰酸根合-1,5-萘二磺酸 is C11H7NO6S3.
What is the molecular weight of 3-异硫氰酸根合-1,5-萘二磺酸?
The molecular weight of 3-异硫氰酸根合-1,5-萘二磺酸 is 344.94 g/mol.
Where can I buy 3-异硫氰酸根合-1,5-萘二磺酸?
You can request a quote for 3-异硫氰酸根合-1,5-萘二磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-异硫氰酸根合-1,5-萘二磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3-异硫氰酸根合-1,5-萘二磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.