Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
TL;DR: Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate (CAS 353770-96-4) is a chemical compound with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
Also Known As: butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate, methylpropyl 3-(N-benzothiazol-2-ylcarbamoyl)propanoate, SEC-BUTYL 4-(1,3-BENZOTHIAZOL-2-YLAMINO)-4-OXOBUTANOATE
| Molecular Formula | C15H18N2O3S |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 3.3567 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.10382 |
| Heavy Atoms | 21 |
| Complexity | 605.6354 |
Chemical Identifiers
| CAS Number | 353770-96-4 |
|---|---|
| SMILES | CCC(C)OC(=O)CCC(=O)NC1=NC2=CC=CC=C2S1 |
Product Overview
Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate (CAS 353770-96-4), with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol. IUPAC: butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate.
Chemical Property Profile of Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
Property Insights of Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
The XLogP value of 3.3567 indicates that Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate. Following Lipinski's Rule of Five, Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate 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 Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
The CAS number of Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate is 353770-96-4.
What is the molecular formula of Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
The molecular formula of Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate is C15H18N2O3S.
What is the molecular weight of Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
The molecular weight of Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate is 306.10 g/mol.
Where can I buy Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
You can request a quote for Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.