![4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide structure](/static/products/531/531516-74-2.png)
4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide
TL;DR: 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide (CAS 531516-74-2) is a chemical compound with molecular formula C28H29N3O4S and molecular weight 503.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butan-2-yloxy-N-[[4-hydroxy-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
Also Known As: 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide, 4-(sec-butoxy)-N-((4-hydroxy-3-(5-isopropylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)benzamide, 4-butan-2-yloxy-N-[[(3E)-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide, 4-butan-2-yloxy-N-[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide
| Molecular Formula | C28H29N3O4S |
|---|---|
| Molecular Weight | 503.19 g/mol |
| LogP | 6.6279 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.18787 |
| Heavy Atoms | 36 |
| Complexity | 1395.9495 |
Chemical Identifiers
| CAS Number | 531516-74-2 |
|---|---|
| SMILES | CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)O)C3=NC4=C(O3)C=CC(=C4)C(C)C |
Product Overview
4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide (CAS 531516-74-2), with molecular formula C28H29N3O4S and molecular weight 503.19 g/mol. IUPAC: 4-butan-2-yloxy-N-[[4-hydroxy-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide
Property Insights of 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide
The XLogP value of 6.6279 indicates that 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide. Following Lipinski's Rule of Five, 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide?
The CAS number of 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide is 531516-74-2.
What is the molecular formula of 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide?
The molecular formula of 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide is C28H29N3O4S.
What is the molecular weight of 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide?
The molecular weight of 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide is 503.19 g/mol.
Where can I buy 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide?
You can request a quote for 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(butan-2-yloxy)-N-({4-hydroxy-3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.