Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide
TL;DR: Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide (CAS 303987-55-5) is a chemical compound with molecular formula C16H14ClNS2 and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-7-chloro-2,3-dihydro-1,5-benzothiazepine
Also Known As: 11N-342S, 4-(benzylsulfanyl)-7-chloro-2,3-dihydro-1,5-benzothiazepine, benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide, 4-benzylsulfanyl-7-chloro-2,3-dihydro-1,5-benzothiazepine
| Molecular Formula | C16H14ClNS2 |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 5.7992 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.0256 |
| Heavy Atoms | 20 |
| Complexity | 625.6289 |
Chemical Identifiers
| CAS Number | 303987-55-5 |
|---|---|
| SMILES | C1CSC2=C(C=C(C=C2)Cl)N=C1SCC3=CC=CC=C3 |
Product Overview
Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide (CAS 303987-55-5), with molecular formula C16H14ClNS2 and molecular weight 319.03 g/mol. IUPAC: 4-benzylsulfanyl-7-chloro-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide
Property Insights of Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide
The XLogP value of 5.7992 indicates that Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide?
The CAS number of Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide is 303987-55-5.
What is the molecular formula of Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide?
The molecular formula of Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide is C16H14ClNS2.
What is the molecular weight of Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide?
The molecular weight of Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide is 319.03 g/mol.
Where can I buy Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide?
You can request a quote for Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 7-chloro-2,3-dihydro-1,5-benzothiazepin-4-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.