KST-1B0381
TL;DR: KST-1B0381 (CAS 13908-26-4) is a chemical compound with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[(1S,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]urea
Also Known As: KST-1B0381, 1-(2-chloroethyl)-3-[(1s,2r,4s)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-yl]urea, 1-(2-chloroethyl)-3-[(1S,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]urea, N'-(2-Chloroethyl)-N-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-yl)carbamimidic acid, N'-(2-Chloroethyl)-N-[(1S,2R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-yl]carbamimidic acid
| Molecular Formula | C13H21ClN2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.12915 |
| Heavy Atoms | 18 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 13908-26-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C1(C)C)[C@H](C2=O)NC(=O)NCCCl |
| InChIKey | WVSMMTGLYQFYDC-JRKPZEMJSA-N |
Product Overview
KST-1B0381 (CAS 13908-26-4), with molecular formula C13H21ClN2O2 and molecular weight 272.13 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(1S,2R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]urea.
Chemical Property Profile of KST-1B0381
Property Insights of KST-1B0381
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B0381. With a topological polar surface area (TPSA) of 58.2 Ų, KST-1B0381 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B0381 has 2 hydrogen bond donor(s) and 2 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 KST-1B0381?
The CAS number of KST-1B0381 is 13908-26-4.
What is the molecular formula of KST-1B0381?
The molecular formula of KST-1B0381 is C13H21ClN2O2.
What is the molecular weight of KST-1B0381?
The molecular weight of KST-1B0381 is 272.13 g/mol.
Where can I buy KST-1B0381?
You can request a quote for KST-1B0381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B0381?
Yes, KEHONG BIO provides custom synthesis services for KST-1B0381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.