BAS 01022412
TL;DR: BAS 01022412 (CAS 309736-19-4) is a chemical compound with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(carbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BAS 01022412, ETHYL 2-(CARBAMOYLAMINO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(carbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, AB00100661-01, ethyl 2-ureido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C13H18N2O3S |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.6843 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.10382 |
| Heavy Atoms | 19 |
| Complexity | 496.32294 |
Chemical Identifiers
| CAS Number | 309736-19-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)N |
Product Overview
BAS 01022412 (CAS 309736-19-4), with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol. IUPAC: ethyl 2-(carbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 01022412
Property Insights of BAS 01022412
The XLogP value of 2.6843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01022412. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01022412. Following Lipinski's Rule of Five, BAS 01022412 has 2 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 BAS 01022412?
The CAS number of BAS 01022412 is 309736-19-4.
What is the molecular formula of BAS 01022412?
The molecular formula of BAS 01022412 is C13H18N2O3S.
What is the molecular weight of BAS 01022412?
The molecular weight of BAS 01022412 is 282.10 g/mol.
Where can I buy BAS 01022412?
You can request a quote for BAS 01022412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01022412?
Yes, KEHONG BIO provides custom synthesis services for BAS 01022412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.