UC-38 deriv.
TL;DR: UC-38 deriv. (CAS 135839-77-9) is a chemical compound with molecular formula C14H14ClNO3S and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, 2-propynyl ester, prop-2-ynyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate, prop-2-ynyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate
| Molecular Formula | C14H14ClNO3S |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 3.2518 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0383 |
| Heavy Atoms | 20 |
| Complexity | 551.8403 |
Chemical Identifiers
| CAS Number | 135839-77-9 |
|---|---|
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OCC#C |
Product Overview
UC-38 deriv. (CAS 135839-77-9), with molecular formula C14H14ClNO3S and molecular weight 311.04 g/mol. IUPAC: prop-2-ynyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate.
Chemical Property Profile of UC-38 deriv.
Property Insights of UC-38 deriv.
The XLogP value of 3.2518 indicates that UC-38 deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, UC-38 deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UC-38 deriv. has 1 hydrogen bond donor(s) and 4 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 UC-38 deriv.?
The CAS number of UC-38 deriv. is 135839-77-9.
What is the molecular formula of UC-38 deriv.?
The molecular formula of UC-38 deriv. is C14H14ClNO3S.
What is the molecular weight of UC-38 deriv.?
The molecular weight of UC-38 deriv. is 311.04 g/mol.
Where can I buy UC-38 deriv.?
You can request a quote for UC-38 deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UC-38 deriv.?
Yes, KEHONG BIO provides custom synthesis services for UC-38 deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.