![isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate structure](/static/products/5158/515872-53-4.webp)
isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
TL;DR: isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 515872-53-4) is a chemical compound with molecular formula C28H34ClNO3S2 and molecular weight 531.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Also Known As: isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, propan-2-yl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, isopropyl 2-(3-chloro-6-methylbenzo[b]thiophene-2-carboxamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate, ISOPROPYL 2-{[(3-CHLORO-6-METHYL-1-BENZOTHIOPHEN-2-YL)CARBONYL]AMINO}-4,5,6,7,8,9,10,11,12,13-DECAHYDROCYCLODODECA[B]THIOPHENE-3-CARBOXYLATE, propan-2-yl 2-{[(3-chloro-6-methyl-1-benzothiophen-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
| Molecular Formula | C28H34ClNO3S2 |
|---|---|
| Molecular Weight | 531.17 g/mol |
| LogP | 8.96152 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 531.1669 |
| Heavy Atoms | 35 |
| Complexity | 1210.7197 |
Chemical Identifiers
| CAS Number | 515872-53-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C4=C(S3)CCCCCCCCCC4)C(=O)OC(C)C)Cl |
Product Overview
isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate (CAS 515872-53-4), with molecular formula C28H34ClNO3S2 and molecular weight 531.17 g/mol. IUPAC: propan-2-yl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Property Insights of isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
The XLogP value of 8.96152 indicates that isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The CAS number of isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 515872-53-4.
What is the molecular formula of isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular formula of isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is C28H34ClNO3S2.
What is the molecular weight of isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
The molecular weight of isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate is 531.17 g/mol.
Where can I buy isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
You can request a quote for isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.