AB00112034-01
TL;DR: AB00112034-01 (CAS 429653-82-7) is a chemical compound with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
Also Known As: AB00112034-01, 3,5-dimethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide, 3,5-dimethoxy-N-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide, 3,5-dimethoxy-N-[[2-methyl-5-(6-methylbenzooxazol-2-yl)phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C25H23N3O4S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 5.25564 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.14093 |
| Heavy Atoms | 33 |
| Complexity | 1341.0284 |
Chemical Identifiers
| CAS Number | 429653-82-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC(=CC(=C4)OC)OC |
Product Overview
AB00112034-01 (CAS 429653-82-7), with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol. IUPAC: 3,5-dimethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of AB00112034-01
Property Insights of AB00112034-01
The XLogP value of 5.25564 indicates that AB00112034-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112034-01. Following Lipinski's Rule of Five, AB00112034-01 has 2 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 AB00112034-01?
The CAS number of AB00112034-01 is 429653-82-7.
What is the molecular formula of AB00112034-01?
The molecular formula of AB00112034-01 is C25H23N3O4S.
What is the molecular weight of AB00112034-01?
The molecular weight of AB00112034-01 is 461.14 g/mol.
Where can I buy AB00112034-01?
You can request a quote for AB00112034-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112034-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112034-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.