Xanthoascin
TL;DR: Xanthoascin (CAS 61391-08-0) is a chemical compound with molecular formula C23H20N2O2 and molecular weight 356.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-diisocyanobuta-1,3-dienyl]phenol
Also Known As: Xanthoascin, 4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-diisocyanobuta-1,3-dienyl]phenol, Phenol, 4-(4-(3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)-2,3-diisocyano-1,3-butadienyl)-, 1-(4-hydroxyphenyl)-4-(2,2-dimethyl-6-chromanyl)-2,3-diisocyano-1,3-butadiene, PHENOL, 4-(4-(3,4-DIHYDRO-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-2,3-DIISOCYANO-1,3-BUTADIEN-1-YL)-
| Molecular Formula | C23H20N2O2 |
|---|---|
| Molecular Weight | 356.15 g/mol |
| LogP | 5.71638 |
| Topological Polar Surface Area | 38.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.15247 |
| Heavy Atoms | 27 |
| Complexity | 1000.15436 |
Chemical Identifiers
| CAS Number | 61391-08-0 |
|---|---|
| SMILES | CC1(CCC2=C(O1)C=CC(=C2)/C=C(/C(=C/C3=CC=C(C=C3)O)/[N+]#[C-])\[N+]#[C-])C |
Product Overview
Xanthoascin (CAS 61391-08-0), with molecular formula C23H20N2O2 and molecular weight 356.15 g/mol. IUPAC: 4-[(1Z,3Z)-4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,3-diisocyanobuta-1,3-dienyl]phenol.
Chemical Property Profile of Xanthoascin
Property Insights of Xanthoascin
The XLogP value of 5.71638 indicates that Xanthoascin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.18 Ų, Xanthoascin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthoascin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xanthoascin?
The CAS number of Xanthoascin is 61391-08-0.
What is the molecular formula of Xanthoascin?
The molecular formula of Xanthoascin is C23H20N2O2.
What is the molecular weight of Xanthoascin?
The molecular weight of Xanthoascin is 356.15 g/mol.
Where can I buy Xanthoascin?
You can request a quote for Xanthoascin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthoascin?
Yes, KEHONG BIO provides custom synthesis services for Xanthoascin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.